5-methyl-N-phenyl-1H-pyrazole-3-carboxamide

C11H11N3O — CID 47292571

IUPAC5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)n[nH]1
InChIInChI=1S/C11H11N3O/c1-8-7-10(14-13-8)11(15)12-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,15)(H,13,14)
InChIKeyFNQQFIAIMHTHTJ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.97
Rot. Bonds2

About 5-methyl-N-phenyl-1H-pyrazole-3-carboxamide

5-methyl-N-phenyl-1H-pyrazole-3-carboxamide (PubChem CID 47292571) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-methyl-N-phenyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
PubChem CID47292571
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)n[nH]1
InChIInChI=1S/C11H11N3O/c1-8-7-10(14-13-8)11(15)12-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,15)(H,13,14)
InChIKeyFNQQFIAIMHTHTJ-UHFFFAOYSA-N
XLogP1.97
TPSA57.78 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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-phenyl-1H-pyrazole-3-carboxamide (CID 47292571) is 5-methyl-N-phenyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-phenyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-phenyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2)n[nH]1.
What is the InChIKey of 5-methyl-N-phenyl-1H-pyrazole-3-carboxamide?
The InChIKey is FNQQFIAIMHTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-7-10(14-13-8)11(15)12-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,15)(H,13,14).
What are the key properties of 5-methyl-N-phenyl-1H-pyrazole-3-carboxamide?
5-methyl-N-phenyl-1H-pyrazole-3-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47292571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).