N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C18H17N3O2 — CID 19472293

IUPACN-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccccc1O
InChIInChI=1S/C18H17N3O2/c1-12-17(18(23)19-15-10-6-7-11-16(15)22)13(2)21(20-12)14-8-4-3-5-9-14/h3-11,22H,1-2H3,(H,19,23)
InChIKeyCJUGBJSGTOWPHU-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.45
Rot. Bonds3

About N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 19472293) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID19472293
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccccc1O
InChIInChI=1S/C18H17N3O2/c1-12-17(18(23)19-15-10-6-7-11-16(15)22)13(2)21(20-12)14-8-4-3-5-9-14/h3-11,22H,1-2H3,(H,19,23)
InChIKeyCJUGBJSGTOWPHU-UHFFFAOYSA-N
XLogP3.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-nitrophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477769
N-(2,5-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26244719
N-(5-chloro-2-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472297
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9209660
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
N-[3-(2,2-dimethylpropanoylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55532044
N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473295
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
5-chloro-N-(4-chloro-2-methylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26114612

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 19472293) is N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is CJUGBJSGTOWPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-17(18(23)19-15-10-6-7-11-16(15)22)13(2)21(20-12)14-8-4-3-5-9-14/h3-11,22H,1-2H3,(H,19,23).
What are the key properties of N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 19472293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).