N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide

C18H16ClN3O2 — CID 75426614

IUPACN-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide
SMILESCc1[nH]nc(NC(=O)Cc2ccc(O)cc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-11-17(13-3-2-4-14(19)10-13)18(22-21-11)20-16(24)9-12-5-7-15(23)8-6-12/h2-8,10,23H,9H2,1H3,(H2,20,21,22,24)
InChIKeyPATKVQNZFQFYNK-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.93
Rot. Bonds4

About N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide

N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 75426614) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide
PubChem CID75426614
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide
SMILESCc1[nH]nc(NC(=O)Cc2ccc(O)cc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-11-17(13-3-2-4-14(19)10-13)18(22-21-11)20-16(24)9-12-5-7-15(23)8-6-12/h2-8,10,23H,9H2,1H3,(H2,20,21,22,24)
InChIKeyPATKVQNZFQFYNK-UHFFFAOYSA-N
XLogP3.93
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 53197836
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide
CID 53197884
2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
CID 53198503
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide
CID 167982740
N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide
CID 53197925
2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine
CID 82476314
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
N-[5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 53197929
2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 154858274
2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
CID 53198509
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
N-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide (CID 75426614) is N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide is Cc1[nH]nc(NC(=O)Cc2ccc(O)cc2)c1-c1cccc(Cl)c1.
What is the InChIKey of N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is PATKVQNZFQFYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-17(13-3-2-4-14(19)10-13)18(22-21-11)20-16(24)9-12-5-7-15(23)8-6-12/h2-8,10,23H,9H2,1H3,(H2,20,21,22,24).
What are the key properties of N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide?
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 75426614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).