1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide

C12H16N4O — CID 2809079

IUPAC1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C12H16N4O/c1-9(2)14-11(17)10-8-13-15(3)12(10)16-6-4-5-7-16/h4-9H,1-3H3,(H,14,17)
InChIKeyYGJDWMKEIQXDRR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.35
Rot. Bonds3

About 1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide

1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 2809079) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID2809079
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C12H16N4O/c1-9(2)14-11(17)10-8-13-15(3)12(10)16-6-4-5-7-16/h4-9H,1-3H3,(H,14,17)
InChIKeyYGJDWMKEIQXDRR-UHFFFAOYSA-N
XLogP1.35
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(Butan-2-YL)-1-(3-fluorophenyl)-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carboxamide
CID 16025127
N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809080
1-(3-Fluorophenyl)-N-(propan-2-YL)-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carboxamide
CID 20936896
N-[2-(dimethylamino)propyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 53520766
1-Methyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
CID 2809082
1-phenyl-N-propyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 6623544
N,1-dimethyl-N-[2-oxo-2-(2-sulfanylethylamino)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 177680101
N-(3-methacrylamidopropyl)-2-(1-methyl-1h-pyrrol-2-yl)-2h-tetrazole-5-carboxamide
CID 168377086
N-(Butan-2-YL)-1-(4-fluorophenyl)-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carboxamide
CID 20915319
1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38026625
1-(2-fluorophenyl)-N-pentan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 45874560
1-(2-fluorophenyl)-N-(propan-2-yl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 51049144

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 2809079) is 1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide is CC(C)NC(=O)c1cnn(C)c1-n1cccc1.
What is the InChIKey of 1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is YGJDWMKEIQXDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(2)14-11(17)10-8-13-15(3)12(10)16-6-4-5-7-16/h4-9H,1-3H3,(H,14,17).
What are the key properties of 1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2809079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).