1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide

C10H9F2N5 — CID 121210919

IUPAC1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccncc2)nn1C(F)F
InChIInChI=1S/C10H9F2N5/c11-10(12)17-8(9(13)14)5-7(16-17)6-1-3-15-4-2-6/h1-5,10H,(H3,13,14)
InChIKeyQVCPAZSRLIRMBC-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.62
Rot. Bonds3

About 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide

1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide (PubChem CID 121210919) has the molecular formula C10H9F2N5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
PubChem CID121210919
Molecular FormulaC10H9F2N5
Molecular Weight237.21 g/mol
Exact Mass237.08
IUPAC Name1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccncc2)nn1C(F)F
InChIInChI=1S/C10H9F2N5/c11-10(12)17-8(9(13)14)5-7(16-17)6-1-3-15-4-2-6/h1-5,10H,(H3,13,14)
InChIKeyQVCPAZSRLIRMBC-UHFFFAOYSA-N
XLogP1.62
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide?
The IUPAC name of 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide (CID 121210919) is 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide.
What is the SMILES notation for 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide?
The canonical SMILES for 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide is [H]/N=C(\N)c1cc(-c2ccncc2)nn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide?
The InChIKey is QVCPAZSRLIRMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5/c11-10(12)17-8(9(13)14)5-7(16-17)6-1-3-15-4-2-6/h1-5,10H,(H3,13,14).
What are the key properties of 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide?
1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide has a molecular weight of 237.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide is sourced from PubChem (CID 121210919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).