3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide

C18H16ClN3O2 — CID 110001692

IUPAC3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C18H16ClN3O2/c19-14-9-5-4-8-13(14)15-10-16(22-21-15)18(24)20-17(11-23)12-6-2-1-3-7-12/h1-10,17,23H,11H2,(H,20,24)(H,21,22)/t17-/m1/s1
InChIKeyZHPHJWPXYQYKAV-QGZVFWFLSA-N
MW341.80 g/mol
LogP3.19
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide (PubChem CID 110001692) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide
PubChem CID110001692
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C18H16ClN3O2/c19-14-9-5-4-8-13(14)15-10-16(22-21-15)18(24)20-17(11-23)12-6-2-1-3-7-12/h1-10,17,23H,11H2,(H,20,24)(H,21,22)/t17-/m1/s1
InChIKeyZHPHJWPXYQYKAV-QGZVFWFLSA-N
XLogP3.19
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
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CID 39374837
2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119211443
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
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1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
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3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
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3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
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methyl (3S)-3-phenyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propanoate
CID 25358277
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide (CID 110001692) is 3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide is O=C(N[C@H](CO)c1ccccc1)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZHPHJWPXYQYKAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-14-9-5-4-8-13(14)15-10-16(22-21-15)18(24)20-17(11-23)12-6-2-1-3-7-12/h1-10,17,23H,11H2,(H,20,24)(H,21,22)/t17-/m1/s1.
What are the key properties of 3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110001692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).