Name: Name:1-methyl-5,6,7,8-tetrahydrocyclohepta[c]pyrazol-4(1H)-one
Brand: Angene
SKU: AG01BTPF
Rating: 90 (10 reviews)

1-methyl-5,6,7,8-tetrahydrocyclohepta[c]pyrazol-4(1H)-one

CAS No.:

115309-88-1

Catalog Number:

AG01BTPF

Molecular Formula:

C9H12N2O

Molecular Weight:

164.2044

Catalog Number:

AG01BTPF

Chemical Name:

1-methyl-5,6,7,8-tetrahydrocyclohepta[c]pyrazol-4(1H)-one

CAS Number:

115309-88-1

Molecular Formula:

C9H12N2O

Molecular Weight:

164.2044

MDL Number:

MFCD11847198

IUPAC Name:

1-methyl-5,6,7,8-tetrahydrocyclohepta[c]pyrazol-4-one

InChI:

InChI=1S/C9H12N2O/c1-11-8-4-2-3-5-9(12)7(8)6-10-11/h6H,2-5H2,1H3

InChI Key:

LYACBVBQXCVCOK-UHFFFAOYSA-N

SMILES:

O=C1CCCCc2c1cnn2C

Complexity:

193

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

164.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

164.208g/mol

Monoisotopic Mass:

164.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7