N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide

C23H20ClN3O — CID 40539104

IUPACN-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C23H20ClN3O/c1-16(28)25-20-13-9-18(10-14-20)23-15-22(17-7-11-19(24)12-8-17)26-27(23)21-5-3-2-4-6-21/h2-14,23H,15H2,1H3,(H,25,28)/t23-/m0/s1
InChIKeyGOWNAOAIDBFXOF-QHCPKHFHSA-N
MW389.89 g/mol
LogP5.65
Rot. Bonds4

About N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide

N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide (PubChem CID 40539104) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
PubChem CID40539104
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC NameN-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C23H20ClN3O/c1-16(28)25-20-13-9-18(10-14-20)23-15-22(17-7-11-19(24)12-8-17)26-27(23)21-5-3-2-4-6-21/h2-14,23H,15H2,1H3,(H,25,28)/t23-/m0/s1
InChIKeyGOWNAOAIDBFXOF-QHCPKHFHSA-N
XLogP5.65
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
5-chloro-N-[4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methoxybenzamide
CID 23635658
(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7392937
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
N-[(Z)-[4-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]-2-chlorobenzamide
CID 6149943
1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
[4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate
CID 7065243
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031
N-[[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]aniline
CID 4197734
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135591660

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide (CID 40539104) is N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1.
What is the InChIKey of N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide?
The InChIKey is GOWNAOAIDBFXOF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-16(28)25-20-13-9-18(10-14-20)23-15-22(17-7-11-19(24)12-8-17)26-27(23)21-5-3-2-4-6-21/h2-14,23H,15H2,1H3,(H,25,28)/t23-/m0/s1.
What are the key properties of N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide?
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide has a molecular weight of 389.89 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 40539104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).