4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide

C11H12N4O2 — CID 43540428

IUPAC4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2cn[nH]c2)n(C)c1
InChIInChI=1S/C11H12N4O2/c1-7(16)8-3-10(15(2)6-8)11(17)14-9-4-12-13-5-9/h3-6H,1-2H3,(H,12,13)(H,14,17)
InChIKeyNSZLMUSHYZGUSE-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.20
Rot. Bonds3

About 4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide

4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide (PubChem CID 43540428) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
PubChem CID43540428
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2cn[nH]c2)n(C)c1
InChIInChI=1S/C11H12N4O2/c1-7(16)8-3-10(15(2)6-8)11(17)14-9-4-12-13-5-9/h3-6H,1-2H3,(H,12,13)(H,14,17)
InChIKeyNSZLMUSHYZGUSE-UHFFFAOYSA-N
XLogP1.20
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 113236894
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 43350862
1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide
CID 166206735
6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 63643592
4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
CID 51257940
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate
CID 43409093
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65109852
4-acetyl-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrole-2-carboxamide
CID 78860169
4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide
CID 51103032
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
1-ethyl-4-nitro-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 43639722

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide (CID 43540428) is 4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide is CC(=O)c1cc(C(=O)Nc2cn[nH]c2)n(C)c1.
What is the InChIKey of 4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The InChIKey is NSZLMUSHYZGUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7(16)8-3-10(15(2)6-8)11(17)14-9-4-12-13-5-9/h3-6H,1-2H3,(H,12,13)(H,14,17).
What are the key properties of 4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43540428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).