5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide

C18H16ClN3O2 — CID 155946762

IUPAC5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c19-14-8-6-13(7-9-14)17-15(10-21-22-17)18(24)20-11-16(23)12-4-2-1-3-5-12/h1-10,16,23H,11H2,(H,20,24)(H,21,22)
InChIKeyJRRRHGGFEVGSEE-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.19
Rot. Bonds5

About 5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 155946762) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
PubChem CID155946762
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c19-14-8-6-13(7-9-14)17-15(10-21-22-17)18(24)20-11-16(23)12-4-2-1-3-5-12/h1-10,16,23H,11H2,(H,20,24)(H,21,22)
InChIKeyJRRRHGGFEVGSEE-UHFFFAOYSA-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

5-(3-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155949626
5-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 155949629
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 155944607
5-(4-fluorophenyl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 166201296
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 92614346
5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide
CID 111102820
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 110885725
5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 18136016
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
5-(2-fluorophenyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 97320264
N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 120830450
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide (CID 155946762) is 5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide is O=C(NCC(O)c1ccccc1)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is JRRRHGGFEVGSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-14-8-6-13(7-9-14)17-15(10-21-22-17)18(24)20-11-16(23)12-4-2-1-3-5-12/h1-10,16,23H,11H2,(H,20,24)(H,21,22).
What are the key properties of 5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-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 5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155946762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).