1-(difluoromethyl)-3-(2-methylpentyl)pyrazole

C10H16F2N2 — CID 155748838

IUPAC1-(difluoromethyl)-3-(2-methylpentyl)pyrazole
SMILESCCCC(C)Cc1ccn(C(F)F)n1
InChIInChI=1S/C10H16F2N2/c1-3-4-8(2)7-9-5-6-14(13-9)10(11)12/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyANRUDMKTRKUPLP-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.26
Rot. Bonds5

About 1-(difluoromethyl)-3-(2-methylpentyl)pyrazole

1-(difluoromethyl)-3-(2-methylpentyl)pyrazole (PubChem CID 155748838) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-(2-methylpentyl)pyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3-(2-methylpentyl)pyrazole
PubChem CID155748838
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-(difluoromethyl)-3-(2-methylpentyl)pyrazole
SMILESCCCC(C)Cc1ccn(C(F)F)n1
InChIInChI=1S/C10H16F2N2/c1-3-4-8(2)7-9-5-6-14(13-9)10(11)12/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyANRUDMKTRKUPLP-UHFFFAOYSA-N
XLogP3.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(difluoromethyl)-3-(2-methylpentyl)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-(2-methylpentyl)pyrazole?
The IUPAC name of 1-(difluoromethyl)-3-(2-methylpentyl)pyrazole (CID 155748838) is 1-(difluoromethyl)-3-(2-methylpentyl)pyrazole.
What is the SMILES notation for 1-(difluoromethyl)-3-(2-methylpentyl)pyrazole?
The canonical SMILES for 1-(difluoromethyl)-3-(2-methylpentyl)pyrazole is CCCC(C)Cc1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-3-(2-methylpentyl)pyrazole?
The InChIKey is ANRUDMKTRKUPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-3-4-8(2)7-9-5-6-14(13-9)10(11)12/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-3-(2-methylpentyl)pyrazole?
1-(difluoromethyl)-3-(2-methylpentyl)pyrazole has a molecular weight of 202.25 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-(2-methylpentyl)pyrazole is sourced from PubChem (CID 155748838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).