(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide

C16H14ClN3O — CID 101242618

IUPAC(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1
InChIInChI=1S/C16H14ClN3O/c17-13-8-6-11(7-9-13)14-10-15(20(19-14)16(18)21)12-4-2-1-3-5-12/h1-9,15H,10H2,(H2,18,21)/t15-/m0/s1
InChIKeyBVBDZLFWOQGAJA-HNNXBMFYSA-N
MW299.76 g/mol
LogP3.57
Rot. Bonds2

About (3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide

(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 101242618) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is (3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID101242618
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESNC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1
InChIInChI=1S/C16H14ClN3O/c17-13-8-6-11(7-9-13)14-10-15(20(19-14)16(18)21)12-4-2-1-3-5-12/h1-9,15H,10H2,(H2,18,21)/t15-/m0/s1
InChIKeyBVBDZLFWOQGAJA-HNNXBMFYSA-N
XLogP3.57
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 139040547
(2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone
CID 7454978
1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
CID 5216035
1-[(3S)-5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 901843
1-[5-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 5083839
(3R)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide
CID 139085278
1-[5-(4-chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25147362
3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole-2-carbothioamide
CID 66488119
1-[(3R)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone
CID 93226641
4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 846205
3,5-bis(4-chlorophenyl)-N-(2-methyl-3-phenylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 56693519

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of (3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 101242618) is (3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for (3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for (3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide is NC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is BVBDZLFWOQGAJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-8-6-11(7-9-13)14-10-15(20(19-14)16(18)21)12-4-2-1-3-5-12/h1-9,15H,10H2,(H2,18,21)/t15-/m0/s1.
What are the key properties of (3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 101242618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).