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

C12H13N3O2 — CID 61166719

IUPACN-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H13N3O2/c1-7-11(8(2)15-14-7)12(17)13-9-4-3-5-10(16)6-9/h3-6,16H,1-2H3,(H,13,17)(H,14,15)
InChIKeyRHJZOMFRFSTGCE-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.98
Rot. Bonds2

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

N-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 61166719) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID61166719
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H13N3O2/c1-7-11(8(2)15-14-7)12(17)13-9-4-3-5-10(16)6-9/h3-6,16H,1-2H3,(H,13,17)(H,14,15)
InChIKeyRHJZOMFRFSTGCE-UHFFFAOYSA-N
XLogP1.98
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 61166719) is N-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is RHJZOMFRFSTGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-11(8(2)15-14-7)12(17)13-9-4-3-5-10(16)6-9/h3-6,16H,1-2H3,(H,13,17)(H,14,15).
What are the key properties of N-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61166719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).