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

C18H17N3O2 — CID 19477768

IUPACN-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C18H17N3O2/c1-12-17(18(23)19-14-7-6-10-16(22)11-14)13(2)21(20-12)15-8-4-3-5-9-15/h3-11,22H,1-2H3,(H,19,23)
InChIKeyZOIFIZWATDIDBY-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.45
Rot. Bonds3

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

N-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 19477768) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID19477768
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C18H17N3O2/c1-12-17(18(23)19-14-7-6-10-16(22)11-14)13(2)21(20-12)15-8-4-3-5-9-15/h3-11,22H,1-2H3,(H,19,23)
InChIKeyZOIFIZWATDIDBY-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 19477768) is N-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZOIFIZWATDIDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-17(18(23)19-14-7-6-10-16(22)11-14)13(2)21(20-12)15-8-4-3-5-9-15/h3-11,22H,1-2H3,(H,19,23).
What are the key properties of N-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-(3-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-(3-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 19477768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).