3-methyl-4-phenylpyrazole-1-carboximidamide

C11H12N4 — CID 141222315

IUPAC3-methyl-4-phenylpyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1cc(-c2ccccc2)c(C)n1
InChIInChI=1S/C11H12N4/c1-8-10(7-15(14-8)11(12)13)9-5-3-2-4-6-9/h2-7H,1H3,(H3,12,13)
InChIKeyYOHYOEVZSVXZEU-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.60
Rot. Bonds1

About 3-methyl-4-phenylpyrazole-1-carboximidamide

3-methyl-4-phenylpyrazole-1-carboximidamide (PubChem CID 141222315) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 3-methyl-4-phenylpyrazole-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-4-phenylpyrazole-1-carboximidamide
PubChem CID141222315
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name3-methyl-4-phenylpyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1cc(-c2ccccc2)c(C)n1
InChIInChI=1S/C11H12N4/c1-8-10(7-15(14-8)11(12)13)9-5-3-2-4-6-9/h2-7H,1H3,(H3,12,13)
InChIKeyYOHYOEVZSVXZEU-UHFFFAOYSA-N
XLogP1.60
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methyl-4-phenylpyrazole
CID 59678081
1-but-3-ynyl-3-methyl-4-phenylpyrazole
CID 86086789
3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride
CID 19382678
2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide
CID 121213805
1-methyl-4-phenylpyrazole-3-carboxamide
CID 71145159
bis(ethanediimidamide);toluene
CID 70390031
bis(3,4-diphenylpyrazol-1-yl)methanone
CID 58850875
5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride
CID 19382749
2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide
CID 61071225
5-amino-3-methyl-4-phenylpyrazole-1-carbothioamide
CID 86277520
ethane;4-phenylbenzenecarboximidamide
CID 91221015
2,3-dimethyl-6,7-diphenylquinoxaline
CID 163197223

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylpyrazole-1-carboximidamide?
The IUPAC name of 3-methyl-4-phenylpyrazole-1-carboximidamide (CID 141222315) is 3-methyl-4-phenylpyrazole-1-carboximidamide.
What is the SMILES notation for 3-methyl-4-phenylpyrazole-1-carboximidamide?
The canonical SMILES for 3-methyl-4-phenylpyrazole-1-carboximidamide is [H]/N=C(\N)n1cc(-c2ccccc2)c(C)n1.
What is the InChIKey of 3-methyl-4-phenylpyrazole-1-carboximidamide?
The InChIKey is YOHYOEVZSVXZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-8-10(7-15(14-8)11(12)13)9-5-3-2-4-6-9/h2-7H,1H3,(H3,12,13).
What are the key properties of 3-methyl-4-phenylpyrazole-1-carboximidamide?
3-methyl-4-phenylpyrazole-1-carboximidamide has a molecular weight of 200.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylpyrazole-1-carboximidamide is sourced from PubChem (CID 141222315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).