N-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide

C17H14ClN3O2 — CID 135577726

IUPACN-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)[nH]n2)c1O
InChIInChI=1S/C17H14ClN3O2/c1-10-3-2-4-13(16(10)22)14-9-15(21-20-14)17(23)19-12-7-5-11(18)6-8-12/h2-9,22H,1H3,(H,19,23)(H,20,21)
InChIKeyPWOWVQWMIXCSCR-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.00
Rot. Bonds3

About N-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide

N-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 135577726) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID135577726
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)[nH]n2)c1O
InChIInChI=1S/C17H14ClN3O2/c1-10-3-2-4-13(16(10)22)14-9-15(21-20-14)17(23)19-12-7-5-11(18)6-8-12/h2-9,22H,1H3,(H,19,23)(H,20,21)
InChIKeyPWOWVQWMIXCSCR-UHFFFAOYSA-N
XLogP4.00
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(acetylamino)phenyl]-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
CID 2039042
N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 1954624
N-[4-(acetylamino)phenyl]-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1836662
(5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide
CID 1838188
5-(2-hydroxy-4,5-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1848114
N-(3,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1855608
5-(5-chloro-2-hydroxyphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1858336
(5E)-N-(2,5-dimethylphenyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
CID 1872658
5-(2-hydroxy-5-methylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1939904
5-(2-hydroxy-3,4-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1946538
3-(2-hydroxy-4,6-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 1956599
N-(2,5-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 1964081

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide (CID 135577726) is N-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)[nH]n2)c1O.
What is the InChIKey of N-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PWOWVQWMIXCSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-10-3-2-4-13(16(10)22)14-9-15(21-20-14)17(23)19-12-7-5-11(18)6-8-12/h2-9,22H,1H3,(H,19,23)(H,20,21).
What are the key properties of N-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide?
N-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135577726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).