1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole

C11H14F2N4 — CID 175719020

IUPAC1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole
SMILESCc1nn(CC(F)F)cc1Cc1cnn(C)c1
InChIInChI=1S/C11H14F2N4/c1-8-10(3-9-4-14-16(2)5-9)6-17(15-8)7-11(12)13/h4-6,11H,3,7H2,1-2H3
InChIKeyWVGAUUGHJATDQO-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.78
Rot. Bonds4

About 1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole

1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole (PubChem CID 175719020) has the molecular formula C11H14F2N4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole
PubChem CID175719020
Molecular FormulaC11H14F2N4
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole
SMILESCc1nn(CC(F)F)cc1Cc1cnn(C)c1
InChIInChI=1S/C11H14F2N4/c1-8-10(3-9-4-14-16(2)5-9)6-17(15-8)7-11(12)13/h4-6,11H,3,7H2,1-2H3
InChIKeyWVGAUUGHJATDQO-UHFFFAOYSA-N
XLogP1.78
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]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-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole (CID 175719020) is 1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole is Cc1nn(CC(F)F)cc1Cc1cnn(C)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole?
The InChIKey is WVGAUUGHJATDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4/c1-8-10(3-9-4-14-16(2)5-9)6-17(15-8)7-11(12)13/h4-6,11H,3,7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole?
1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole has a molecular weight of 240.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]pyrazole is sourced from PubChem (CID 175719020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).