[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C21H24N4O — CID 20915096

IUPAC[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-n2ncc(C(=O)N3CCC(C)CC3)c2-n2cccc2)cc1
InChIInChI=1S/C21H24N4O/c1-16-5-7-18(8-6-16)25-20(23-11-3-4-12-23)19(15-22-25)21(26)24-13-9-17(2)10-14-24/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3
InChIKeyCWRWRKMLZYEZAD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.84
Rot. Bonds3

About [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 20915096) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID20915096
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-n2ncc(C(=O)N3CCC(C)CC3)c2-n2cccc2)cc1
InChIInChI=1S/C21H24N4O/c1-16-5-7-18(8-6-16)25-20(23-11-3-4-12-23)19(15-22-25)21(26)24-13-9-17(2)10-14-24/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3
InChIKeyCWRWRKMLZYEZAD-UHFFFAOYSA-N
XLogP3.84
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 20915110
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20915103
furan-2-yl-[4-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 20915108
(3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone
CID 20892795
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20915101
1-[1-(4-bromophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 30388139
azepan-1-yl-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936773
(4-cyclohexylpiperazin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20915390
N-[(4-methylphenyl)methyl]-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 20892874
N-butyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 52666453
N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 20892793
[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 78848478

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 20915096) is [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(-n2ncc(C(=O)N3CCC(C)CC3)c2-n2cccc2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is CWRWRKMLZYEZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-5-7-18(8-6-16)25-20(23-11-3-4-12-23)19(15-22-25)21(26)24-13-9-17(2)10-14-24/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3.
What are the key properties of [1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 3.84, 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]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 20915096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).