Name: Name:Methyl 3-methyl-5-(thiophen-2-yl)-1H-pyrazole-4-carboxylate
Brand: Angene
SKU: AG003AU5
Rating: 90 (10 reviews)

Methyl 3-methyl-5-(thiophen-2-yl)-1H-pyrazole-4-carboxylate

CAS No.:

76923-35-8

Catalog Number:

AG003AU5

Molecular Formula:

C10H10N2O2S

Molecular Weight:

222.2636

Catalog Number:

AG003AU5

Chemical Name:

Methyl 3-methyl-5-(thiophen-2-yl)-1H-pyrazole-4-carboxylate

CAS Number:

76923-35-8

Molecular Formula:

C10H10N2O2S

Molecular Weight:

222.2636

MDL Number:

MFCD02090427

IUPAC Name:

methyl 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carboxylate

InChI:

InChI=1S/C10H10N2O2S/c1-6-8(10(13)14-2)9(12-11-6)7-4-3-5-15-7/h3-5H,1-2H3,(H,11,12)

InChI Key:

IGUKTJRPNHRPKC-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(C)n[nH]c1c1cccs1

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.262g/mol

Monoisotopic Mass:

222.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8