4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide

C21H24N4O — CID 138023187

IUPAC4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
SMILESCc1c(NC(=O)c2c[nH]cc2Cc2ccccc2)cnn1C1CCCC1
InChIInChI=1S/C21H24N4O/c1-15-20(14-23-25(15)18-9-5-6-10-18)24-21(26)19-13-22-12-17(19)11-16-7-3-2-4-8-16/h2-4,7-8,12-14,18,22H,5-6,9-11H2,1H3,(H,24,26)
InChIKeySCGACUPVVAFPSF-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.48
Rot. Bonds5

About 4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide

4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide (PubChem CID 138023187) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
PubChem CID138023187
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
SMILESCc1c(NC(=O)c2c[nH]cc2Cc2ccccc2)cnn1C1CCCC1
InChIInChI=1S/C21H24N4O/c1-15-20(14-23-25(15)18-9-5-6-10-18)24-21(26)19-13-22-12-17(19)11-16-7-3-2-4-8-16/h2-4,7-8,12-14,18,22H,5-6,9-11H2,1H3,(H,24,26)
InChIKeySCGACUPVVAFPSF-UHFFFAOYSA-N
XLogP4.48
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide (CID 138023187) is 4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide is Cc1c(NC(=O)c2c[nH]cc2Cc2ccccc2)cnn1C1CCCC1.
What is the InChIKey of 4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is SCGACUPVVAFPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-20(14-23-25(15)18-9-5-6-10-18)24-21(26)19-13-22-12-17(19)11-16-7-3-2-4-8-16/h2-4,7-8,12-14,18,22H,5-6,9-11H2,1H3,(H,24,26).
What are the key properties of 4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 138023187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).