4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide

C17H16N4O2 — CID 51101782

IUPAC4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cccc(-n3nccc3C)c2)c1
InChIInChI=1S/C17H16N4O2/c1-11-6-7-19-21(11)15-5-3-4-14(9-15)20-17(23)16-8-13(10-18-16)12(2)22/h3-10,18H,1-2H3,(H,20,23)
InChIKeyIRWUQSLBLQPWMT-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.96
Rot. Bonds4

About 4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 51101782) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID51101782
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cccc(-n3nccc3C)c2)c1
InChIInChI=1S/C17H16N4O2/c1-11-6-7-19-21(11)15-5-3-4-14(9-15)20-17(23)16-8-13(10-18-16)12(2)22/h3-10,18H,1-2H3,(H,20,23)
InChIKeyIRWUQSLBLQPWMT-UHFFFAOYSA-N
XLogP2.96
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(3-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 9072337
4-acetyl-N-(3-ethynylphenyl)-1H-pyrrole-2-carboxamide
CID 18168150
4-acetyl-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]-1H-pyrrole-2-carboxamide
CID 47057941
4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 60555786
4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18107275
1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
CID 56827020
1-(2-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166203684
4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 9180228
5-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-chlorobenzoic acid
CID 60862715
1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 56554558
2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[3-(5-methylpyrazol-1-yl)phenyl]acetamide
CID 97210905
4-acetyl-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-pyrrole-2-carboxamide
CID 94799587

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide (CID 51101782) is 4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2cccc(-n3nccc3C)c2)c1.
What is the InChIKey of 4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is IRWUQSLBLQPWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-6-7-19-21(11)15-5-3-4-14(9-15)20-17(23)16-8-13(10-18-16)12(2)22/h3-10,18H,1-2H3,(H,20,23).
What are the key properties of 4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51101782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).