5-methyl-1-phenylpyrazole-3-carboxamide

C11H11N3O — CID 68896199

IUPAC5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1-c1ccccc1
InChIInChI=1S/C11H11N3O/c1-8-7-10(11(12)15)13-14(8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,15)
InChIKeyKQOOFQBUDXTAMF-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.28
Rot. Bonds2

About 5-methyl-1-phenylpyrazole-3-carboxamide

5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 68896199) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID68896199
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1-c1ccccc1
InChIInChI=1S/C11H11N3O/c1-8-7-10(11(12)15)13-14(8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,15)
InChIKeyKQOOFQBUDXTAMF-UHFFFAOYSA-N
XLogP1.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
benzamido 5-methyl-1-phenylpyrazole-3-carboxylate
CID 5019720
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide
CID 137442901
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide
CID 112842395
N-(1-amino-1-oxopent-4-yn-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71908786
N,5-dimethyl-N-naphthalen-2-yl-1-phenylpyrazole-3-carboxamide
CID 55757695
ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide
CID 143678267
2-[cyclopropyl-(5-methyl-1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 119194677
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119518631

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-phenylpyrazole-3-carboxamide (CID 68896199) is 5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(N)=O)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is KQOOFQBUDXTAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-7-10(11(12)15)13-14(8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,15).
What are the key properties of 5-methyl-1-phenylpyrazole-3-carboxamide?
5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 68896199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).