1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C13H14N6O — CID 38105120

IUPAC1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cnn(C)c2-n2cccc2)n1
InChIInChI=1S/C13H14N6O/c1-17-8-5-11(16-17)15-12(20)10-9-14-18(2)13(10)19-6-3-4-7-19/h3-9H,1-2H3,(H,15,16,20)
InChIKeyGLESUHWNWXBVTC-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.20
Rot. Bonds3

About 1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide

1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 38105120) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID38105120
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cnn(C)c2-n2cccc2)n1
InChIInChI=1S/C13H14N6O/c1-17-8-5-11(16-17)15-12(20)10-9-14-18(2)13(10)19-6-3-4-7-19/h3-9H,1-2H3,(H,15,16,20)
InChIKeyGLESUHWNWXBVTC-UHFFFAOYSA-N
XLogP1.20
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053385
(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 54991451
N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38004934
N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38005588
N-(3-methoxyphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809038
N-heptan-2-yl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053307
N-(1,3-benzothiazol-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51054043
1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33159734
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl fluoride
CID 58724547
methyl 2-chloro-5-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]benzoate
CID 34163624
1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 38136593
1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
CID 19474955

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 38105120) is 1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ccc(NC(=O)c2cnn(C)c2-n2cccc2)n1.
What is the InChIKey of 1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is GLESUHWNWXBVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-17-8-5-11(16-17)15-12(20)10-9-14-18(2)13(10)19-6-3-4-7-19/h3-9H,1-2H3,(H,15,16,20).
What are the key properties of 1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38105120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).