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

C17H14ClN3O2 — CID 2039802

IUPACN-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(O)c(-c2cc(C(=O)Nc3ccccc3Cl)[nH]n2)c1
InChIInChI=1S/C17H14ClN3O2/c1-10-6-7-16(22)11(8-10)14-9-15(21-20-14)17(23)19-13-5-3-2-4-12(13)18/h2-9,22H,1H3,(H,19,23)(H,20,21)
InChIKeyLCCPJEIBZBBREA-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.00
Rot. Bonds3

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

N-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 2039802) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID2039802
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(O)c(-c2cc(C(=O)Nc3ccccc3Cl)[nH]n2)c1
InChIInChI=1S/C17H14ClN3O2/c1-10-6-7-16(22)11(8-10)14-9-15(21-20-14)17(23)19-13-5-3-2-4-12(13)18/h2-9,22H,1H3,(H,19,23)(H,20,21)
InChIKeyLCCPJEIBZBBREA-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-(2,4-dimethoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 2039755
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084
N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008238
N-(2-chlorophenyl)-4-methylpyridine-2-carboxamide
CID 110858745
N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087379
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
N-(2-chlorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956204
3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide
CID 135785317
N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046396
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide (CID 2039802) is N-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(O)c(-c2cc(C(=O)Nc3ccccc3Cl)[nH]n2)c1.
What is the InChIKey of N-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LCCPJEIBZBBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-10-6-7-16(22)11(8-10)14-9-15(21-20-14)17(23)19-13-5-3-2-4-12(13)18/h2-9,22H,1H3,(H,19,23)(H,20,21).
What are the key properties of N-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide?
N-(2-chlorophenyl)-3-(2-hydroxy-5-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-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 2039802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).