1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide

C25H28N4O3 — CID 134697760

IUPAC1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide
SMILESCOc1ccccc1-c1c(C)nn(C)c1NC(=O)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C25H28N4O3/c1-17-22(19-13-7-8-15-21(19)32-3)23(28(2)27-17)26-24(30)20-14-9-10-16-29(20)25(31)18-11-5-4-6-12-18/h4-8,11-13,15,20H,9-10,14,16H2,1-3H3,(H,26,30)
InChIKeyOMARFNFTBMLSDI-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.04
Rot. Bonds5

About 1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide

1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide (PubChem CID 134697760) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide
PubChem CID134697760
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide
SMILESCOc1ccccc1-c1c(C)nn(C)c1NC(=O)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C25H28N4O3/c1-17-22(19-13-7-8-15-21(19)32-3)23(28(2)27-17)26-24(30)20-14-9-10-16-29(20)25(31)18-11-5-4-6-12-18/h4-8,11-13,15,20H,9-10,14,16H2,1-3H3,(H,26,30)
InChIKeyOMARFNFTBMLSDI-UHFFFAOYSA-N
XLogP4.04
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea
CID 72911546
(2R)-2-[[[(2S)-1-benzoylpiperidine-2-carbonyl]amino]methyl]-3-(2-methoxyphenyl)propanoic acid
CID 97337594
1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 56826411
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012
1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 46756268
(2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 95990027
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
CID 5128006

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide (CID 134697760) is 1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide is COc1ccccc1-c1c(C)nn(C)c1NC(=O)C1CCCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide?
The InChIKey is OMARFNFTBMLSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-22(19-13-7-8-15-21(19)32-3)23(28(2)27-17)26-24(30)20-14-9-10-16-29(20)25(31)18-11-5-4-6-12-18/h4-8,11-13,15,20H,9-10,14,16H2,1-3H3,(H,26,30).
What are the key properties of 1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide?
1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide is sourced from PubChem (CID 134697760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).