1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

C30H32N4O3 — CID 41184114

IUPAC1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C30H32N4O3/c1-37-26-14-12-23(13-15-26)28-20-27(22-8-4-2-5-9-22)32-34(28)29(35)21-33-18-16-24(17-19-33)30(36)31-25-10-6-3-7-11-25/h2-15,24,28H,16-21H2,1H3,(H,31,36)/t28-/m0/s1
InChIKeySEECAQGJILCOAS-NDEPHWFRSA-N
MW496.61 g/mol
LogP4.72
Rot. Bonds7

About 1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 41184114) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID41184114
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C30H32N4O3/c1-37-26-14-12-23(13-15-26)28-20-27(22-8-4-2-5-9-22)32-34(28)29(35)21-33-18-16-24(17-19-33)30(36)31-25-10-6-3-7-11-25/h2-15,24,28H,16-21H2,1H3,(H,31,36)/t28-/m0/s1
InChIKeySEECAQGJILCOAS-NDEPHWFRSA-N
XLogP4.72
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 34921074
1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 46030908
4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 1118091
(3R)-3-(4-methoxyphenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide
CID 7087817
1-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 25352601
1-[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 4881917
1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 2960227
1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
CID 2964804
1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 46030914
[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] cyclopentanecarboxylate
CID 8020411
[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] cyclobutanecarboxylate
CID 7717449
2-(azocan-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 32700570

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (CID 41184114) is 1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is SEECAQGJILCOAS-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-37-26-14-12-23(13-15-26)28-20-27(22-8-4-2-5-9-22)32-34(28)29(35)21-33-18-16-24(17-19-33)30(36)31-25-10-6-3-7-11-25/h2-15,24,28H,16-21H2,1H3,(H,31,36)/t28-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 41184114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).