4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide

C25H23ClN4O2 — CID 44763350

IUPAC4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(-n2nc(-c3cccc(Cl)c3)cc2N)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C25H23ClN4O2/c1-16(24(31)17-6-3-2-4-7-17)28-25(32)18-10-12-21(13-11-18)30-23(27)15-22(29-30)19-8-5-9-20(26)14-19/h2-16,24,31H,27H2,1H3,(H,28,32)/t16-,24-/m0/s1
InChIKeyWRDBCENJTGPKDE-FYSMJZIKSA-N
MW446.94 g/mol
LogP4.63
Rot. Bonds6

About 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide

4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide (PubChem CID 44763350) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide
PubChem CID44763350
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(-n2nc(-c3cccc(Cl)c3)cc2N)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C25H23ClN4O2/c1-16(24(31)17-6-3-2-4-7-17)28-25(32)18-10-12-21(13-11-18)30-23(27)15-22(29-30)19-8-5-9-20(26)14-19/h2-16,24,31H,27H2,1H3,(H,28,32)/t16-,24-/m0/s1
InChIKeyWRDBCENJTGPKDE-FYSMJZIKSA-N
XLogP4.63
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide
CID 44763412
3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 40648027
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 44763355
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 44763354
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine
CID 43542636
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 2742747
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide
CID 44763218
4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 154861680
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide
CID 44763130
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 92869424
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide
CID 44763648
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44763083

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide (CID 44763350) is 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide is C[C@H](NC(=O)c1ccc(-n2nc(-c3cccc(Cl)c3)cc2N)cc1)[C@H](O)c1ccccc1.
What is the InChIKey of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide?
The InChIKey is WRDBCENJTGPKDE-FYSMJZIKSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-16(24(31)17-6-3-2-4-7-17)28-25(32)18-10-12-21(13-11-18)30-23(27)15-22(29-30)19-8-5-9-20(26)14-19/h2-16,24,31H,27H2,1H3,(H,28,32)/t16-,24-/m0/s1.
What are the key properties of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide?
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide has a molecular weight of 446.94 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 44763350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).