(3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide

C21H18N4O — CID 39997388

IUPAC(3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(Nc1cccnc1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H18N4O/c26-21(23-17-10-7-13-22-15-17)19-14-20(16-8-3-1-4-9-16)25(24-19)18-11-5-2-6-12-18/h1-13,15,20H,14H2,(H,23,26)/t20-/m0/s1
InChIKeyPQQFCKSZLBQASA-FQEVSTJZSA-N
MW342.40 g/mol
LogP4.03
Rot. Bonds4

About (3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide

(3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 39997388) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is (3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide
PubChem CID39997388
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name(3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(Nc1cccnc1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H18N4O/c26-21(23-17-10-7-13-22-15-17)19-14-20(16-8-3-1-4-9-16)25(24-19)18-11-5-2-6-12-18/h1-13,15,20H,14H2,(H,23,26)/t20-/m0/s1
InChIKeyPQQFCKSZLBQASA-FQEVSTJZSA-N
XLogP4.03
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide
CID 42888150
(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 38013267
(3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36625724
(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36628252
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 51129173
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
5-N-(6-methoxy-3-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46548689
(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95656986
(3S)-2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657115
(3R)-2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657116
(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 25472948
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 97008607

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide (CID 39997388) is (3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide is O=C(Nc1cccnc1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is PQQFCKSZLBQASA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21(23-17-10-7-13-22-15-17)19-14-20(16-8-3-1-4-9-16)25(24-19)18-11-5-2-6-12-18/h1-13,15,20H,14H2,(H,23,26)/t20-/m0/s1.
What are the key properties of (3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide?
(3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 39997388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).