3-(2-methylphenyl)-1H-pyrazole-5-carboxamide

C11H11N3O — CID 53017439

IUPAC3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C11H11N3O/c1-7-4-2-3-5-8(7)9-6-10(11(12)15)14-13-9/h2-6H,1H3,(H2,12,15)(H,13,14)
InChIKeySVASFGBFHACAMF-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.48
Rot. Bonds2

About 3-(2-methylphenyl)-1H-pyrazole-5-carboxamide

3-(2-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 53017439) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID53017439
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C11H11N3O/c1-7-4-2-3-5-8(7)9-6-10(11(12)15)14-13-9/h2-6H,1H3,(H2,12,15)(H,13,14)
InChIKeySVASFGBFHACAMF-UHFFFAOYSA-N
XLogP1.48
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methylphenyl)-1H-pyrazole-5-carboxamide (CID 53017439) is 3-(2-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccccc1-c1cc(C(N)=O)[nH]n1.
What is the InChIKey of 3-(2-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SVASFGBFHACAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-4-2-3-5-8(7)9-6-10(11(12)15)14-13-9/h2-6H,1H3,(H2,12,15)(H,13,14).
What are the key properties of 3-(2-methylphenyl)-1H-pyrazole-5-carboxamide?
3-(2-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53017439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).