1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide

C11H10F2N4 — CID 121211348

IUPAC1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)nn1C(F)F
InChIInChI=1S/C11H10F2N4/c12-11(13)17-9(10(14)15)6-8(16-17)7-4-2-1-3-5-7/h1-6,11H,(H3,14,15)
InChIKeyXCKHULHQKAHBAM-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.23
Rot. Bonds3

About 1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide

1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide (PubChem CID 121211348) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide
PubChem CID121211348
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)nn1C(F)F
InChIInChI=1S/C11H10F2N4/c12-11(13)17-9(10(14)15)6-8(16-17)7-4-2-1-3-5-7/h1-6,11H,(H3,14,15)
InChIKeyXCKHULHQKAHBAM-UHFFFAOYSA-N
XLogP2.23
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.23
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-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
CID 121210919
3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide
CID 121211345
1,3-diphenylpyrazole-5-carboximidamide
CID 170235177
1-(difluoromethyl)-3-pyridin-3-ylpyrazole-5-carboxamide
CID 121210823
1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide
CID 121210914
1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
CID 121210917
3-phenyl-1H-pyrazole-5-carboximidamide
CID 137027831
phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone
CID 134910036
5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole
CID 90162115
4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride
CID 16658981
ethane;4-phenylbenzenecarboximidamide
CID 91221015
6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide
CID 71745309

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide?
The IUPAC name of 1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide (CID 121211348) is 1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide.
What is the SMILES notation for 1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide?
The canonical SMILES for 1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide is [H]/N=C(\N)c1cc(-c2ccccc2)nn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide?
The InChIKey is XCKHULHQKAHBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c12-11(13)17-9(10(14)15)6-8(16-17)7-4-2-1-3-5-7/h1-6,11H,(H3,14,15).
What are the key properties of 1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide?
1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide has a molecular weight of 236.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide is sourced from PubChem (CID 121211348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).