N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C21H24N4O — CID 20936611

IUPACN-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1cccc(-n2nc(C)c(C(=O)NC3CCCC3)c2-n2cccc2)c1
InChIInChI=1S/C21H24N4O/c1-15-8-7-11-18(14-15)25-21(24-12-5-6-13-24)19(16(2)23-25)20(26)22-17-9-3-4-10-17/h5-8,11-14,17H,3-4,9-10H2,1-2H3,(H,22,26)
InChIKeyDZMCIEHGAUJUOK-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.95
Rot. Bonds4

About N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20936611) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20936611
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1cccc(-n2nc(C)c(C(=O)NC3CCCC3)c2-n2cccc2)c1
InChIInChI=1S/C21H24N4O/c1-15-8-7-11-18(14-15)25-21(24-12-5-6-13-24)19(16(2)23-25)20(26)22-17-9-3-4-10-17/h5-8,11-14,17H,3-4,9-10H2,1-2H3,(H,22,26)
InChIKeyDZMCIEHGAUJUOK-UHFFFAOYSA-N
XLogP3.95
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20936611) is N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1cccc(-n2nc(C)c(C(=O)NC3CCCC3)c2-n2cccc2)c1.
What is the InChIKey of N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is DZMCIEHGAUJUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-8-7-11-18(14-15)25-21(24-12-5-6-13-24)19(16(2)23-25)20(26)22-17-9-3-4-10-17/h5-8,11-14,17H,3-4,9-10H2,1-2H3,(H,22,26).
What are the key properties of N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20936611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).