1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide

C29H28N4O3 — CID 46664061

IUPAC1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C29H28N4O3/c1-36-25-14-8-9-22(19-25)27-26(20-33(31-27)24-12-6-3-7-13-24)29(35)32-17-15-21(16-18-32)28(34)30-23-10-4-2-5-11-23/h2-14,19-21H,15-18H2,1H3,(H,30,34)
InChIKeyFGOQWGYPLKOYNN-UHFFFAOYSA-N
MW480.57 g/mol
LogP5.04
Rot. Bonds6

About 1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide

1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 46664061) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
PubChem CID46664061
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC Name1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C29H28N4O3/c1-36-25-14-8-9-22(19-25)27-26(20-33(31-27)24-12-6-3-7-13-24)29(35)32-17-15-21(16-18-32)28(34)30-23-10-4-2-5-11-23/h2-14,19-21H,15-18H2,1H3,(H,30,34)
InChIKeyFGOQWGYPLKOYNN-UHFFFAOYSA-N
XLogP5.04
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124693422
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
1-[4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 52573416
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613068
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 38646128
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 112793080
1,4-diazepan-1-yl-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119417117
3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287980
[1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469903
[(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 38002651
N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide
CID 24598452

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide (CID 46664061) is 1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide is COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is FGOQWGYPLKOYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c1-36-25-14-8-9-22(19-25)27-26(20-33(31-27)24-12-6-3-7-13-24)29(35)32-17-15-21(16-18-32)28(34)30-23-10-4-2-5-11-23/h2-14,19-21H,15-18H2,1H3,(H,30,34).
What are the key properties of 1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide?
1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 46664061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).