1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide

C12H16N4O — CID 112690410

IUPAC1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
SMILESCCCc1cc(NC(=O)c2cccn2C)n[nH]1
InChIInChI=1S/C12H16N4O/c1-3-5-9-8-11(15-14-9)13-12(17)10-6-4-7-16(10)2/h4,6-8H,3,5H2,1-2H3,(H2,13,14,15,17)
InChIKeyGUPXHKBQXHLGCT-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.95
Rot. Bonds4

About 1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide

1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide (PubChem CID 112690410) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
PubChem CID112690410
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
SMILESCCCc1cc(NC(=O)c2cccn2C)n[nH]1
InChIInChI=1S/C12H16N4O/c1-3-5-9-8-11(15-14-9)13-12(17)10-6-4-7-16(10)2/h4,6-8H,3,5H2,1-2H3,(H2,13,14,15,17)
InChIKeyGUPXHKBQXHLGCT-UHFFFAOYSA-N
XLogP1.95
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 113234268
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233988
4-amino-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 104616173
1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
CID 113235417
5-methyl-N-(5-propyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 114821897
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747889
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide (CID 112690410) is 1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide is CCCc1cc(NC(=O)c2cccn2C)n[nH]1.
What is the InChIKey of 1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
The InChIKey is GUPXHKBQXHLGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-5-9-8-11(15-14-9)13-12(17)10-6-4-7-16(10)2/h4,6-8H,3,5H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 112690410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).