1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole

C7H6F2N4 — CID 167423037

IUPAC1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole
SMILESFC(F)n1ccc(-c2cn[nH]c2)n1
InChIInChI=1S/C7H6F2N4/c8-7(9)13-2-1-6(12-13)5-3-10-11-4-5/h1-4,7H,(H,10,11)
InChIKeyTWQGZKPYMUIUFM-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.67
Rot. Bonds2

About 1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole

1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole (PubChem CID 167423037) has the molecular formula C7H6F2N4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole
PubChem CID167423037
Molecular FormulaC7H6F2N4
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Name1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole
SMILESFC(F)n1ccc(-c2cn[nH]c2)n1
InChIInChI=1S/C7H6F2N4/c8-7(9)13-2-1-6(12-13)5-3-10-11-4-5/h1-4,7H,(H,10,11)
InChIKeyTWQGZKPYMUIUFM-UHFFFAOYSA-N
XLogP1.67
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole?
The IUPAC name of 1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole (CID 167423037) is 1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole?
The canonical SMILES for 1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole is FC(F)n1ccc(-c2cn[nH]c2)n1.
What is the InChIKey of 1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole?
The InChIKey is TWQGZKPYMUIUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4/c8-7(9)13-2-1-6(12-13)5-3-10-11-4-5/h1-4,7H,(H,10,11).
What are the key properties of 1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole?
1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole has a molecular weight of 184.15 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-(1H-pyrazol-4-yl)pyrazole is sourced from PubChem (CID 167423037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).