4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide

C19H22N4O — CID 122131967

IUPAC4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)NCCCc1cn(-c2ccccc2)nc1C
InChIInChI=1S/C19H22N4O/c1-14-11-20-12-18(14)19(24)21-10-6-7-16-13-23(22-15(16)2)17-8-4-3-5-9-17/h3-5,8-9,11-13,20H,6-7,10H2,1-2H3,(H,21,24)
InChIKeyANRMYNATQCWUHH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.18
Rot. Bonds6

About 4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide

4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide (PubChem CID 122131967) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
PubChem CID122131967
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)NCCCc1cn(-c2ccccc2)nc1C
InChIInChI=1S/C19H22N4O/c1-14-11-20-12-18(14)19(24)21-10-6-7-16-13-23(22-15(16)2)17-8-4-3-5-9-17/h3-5,8-9,11-13,20H,6-7,10H2,1-2H3,(H,21,24)
InChIKeyANRMYNATQCWUHH-UHFFFAOYSA-N
XLogP3.18
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide
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N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide
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N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide
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2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
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3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 46473562
1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide
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3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
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N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 60511426
2-(2-cyanophenyl)sulfanyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 60545040
2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 46426763
ethyl (3R)-3-hydroxy-4-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-4-oxobutanoate
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide (CID 122131967) is 4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide is Cc1c[nH]cc1C(=O)NCCCc1cn(-c2ccccc2)nc1C.
What is the InChIKey of 4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide?
The InChIKey is ANRMYNATQCWUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-11-20-12-18(14)19(24)21-10-6-7-16-13-23(22-15(16)2)17-8-4-3-5-9-17/h3-5,8-9,11-13,20H,6-7,10H2,1-2H3,(H,21,24).
What are the key properties of 4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide?
4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 122131967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).