[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone

C20H22N4O — CID 20915110

IUPAC[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-n2ncc(C(=O)N3CCCCC3)c2-n2cccc2)cc1
InChIInChI=1S/C20H22N4O/c1-16-7-9-17(10-8-16)24-19(22-11-5-6-12-22)18(15-21-24)20(25)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3
InChIKeyVGESJJTWFOOVOA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.60
Rot. Bonds3

About [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone

[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 20915110) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
PubChem CID20915110
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-n2ncc(C(=O)N3CCCCC3)c2-n2cccc2)cc1
InChIInChI=1S/C20H22N4O/c1-16-7-9-17(10-8-16)24-19(22-11-5-6-12-22)18(15-21-24)20(25)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3
InChIKeyVGESJJTWFOOVOA-UHFFFAOYSA-N
XLogP3.60
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20915103
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20915096
azepan-1-yl-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936773
furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 20915108
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20915101
N-[(4-methylphenyl)methyl]-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 20892874
ethyl (3S)-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxylate
CID 29227904
ethyl 1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 20914930
(4-cyclohexylpiperazin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20915390
1-[1-(4-bromophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 30388139
azepan-1-yl-[1-(2,4-difluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 86206810
(3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone
CID 20892795

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone (CID 20915110) is [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone is Cc1ccc(-n2ncc(C(=O)N3CCCCC3)c2-n2cccc2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is VGESJJTWFOOVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16-7-9-17(10-8-16)24-19(22-11-5-6-12-22)18(15-21-24)20(25)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3.
What are the key properties of [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone?
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 334.42 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 20915110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).