Name: Name:1-(1-Isopropyl-1h-pyrazol-5-yl)-2,5-dimethyl-1h-pyrrole-3-carbaldehyde
Brand: Angene
SKU: AG00IJA2
Rating: 90 (10 reviews)

1-(1-Isopropyl-1h-pyrazol-5-yl)-2,5-dimethyl-1h-pyrrole-3-carbaldehyde

CAS No.:

956386-28-0

Catalog Number:

AG00IJA2

Molecular Formula:

C13H17N3O

Molecular Weight:

231.2936

Catalog Number:

AG00IJA2

Chemical Name:

1-(1-Isopropyl-1h-pyrazol-5-yl)-2,5-dimethyl-1h-pyrrole-3-carbaldehyde

CAS Number:

956386-28-0

Molecular Formula:

C13H17N3O

Molecular Weight:

231.2936

MDL Number:

MFCD06382016

IUPAC Name:

2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrole-3-carbaldehyde

InChI:

InChI=1S/C13H17N3O/c1-9(2)16-13(5-6-14-16)15-10(3)7-12(8-17)11(15)4/h5-9H,1-4H3

InChI Key:

UJAMKJGMBBLMMJ-UHFFFAOYSA-N

SMILES:

O=Cc1cc(n(c1C)c1ccnn1C(C)C)C

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.299g/mol

Monoisotopic Mass:

231.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9