N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

C18H17N3O2 — CID 2034999

IUPACN-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(-c3ccccc3O)n[nH]2)c1
InChIInChI=1S/C18H17N3O2/c1-11-7-8-12(2)14(9-11)19-18(23)16-10-15(20-21-16)13-5-3-4-6-17(13)22/h3-10,22H,1-2H3,(H,19,23)(H,20,21)
InChIKeyIWSAKXPWZMTTBY-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.65
Rot. Bonds3

About N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 2034999) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID2034999
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(-c3ccccc3O)n[nH]2)c1
InChIInChI=1S/C18H17N3O2/c1-11-7-8-12(2)14(9-11)19-18(23)16-10-15(20-21-16)13-5-3-4-6-17(13)22/h3-10,22H,1-2H3,(H,19,23)(H,20,21)
InChIKeyIWSAKXPWZMTTBY-UHFFFAOYSA-N
XLogP3.65
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (CID 2034999) is N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3O)n[nH]2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IWSAKXPWZMTTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-7-8-12(2)14(9-11)19-18(23)16-10-15(20-21-16)13-5-3-4-6-17(13)22/h3-10,22H,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 2034999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).