5-(difluoromethyl)-1-(2-methylpropyl)pyrazole

C8H12F2N2 — CID 123300082

IUPAC5-(difluoromethyl)-1-(2-methylpropyl)pyrazole
SMILESCC(C)Cn1nccc1C(F)F
InChIInChI=1S/C8H12F2N2/c1-6(2)5-12-7(8(9)10)3-4-11-12/h3-4,6,8H,5H2,1-2H3
InChIKeyYHONJINJXYGRFU-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.48
Rot. Bonds3

About 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole

5-(difluoromethyl)-1-(2-methylpropyl)pyrazole (PubChem CID 123300082) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(2-methylpropyl)pyrazole
PubChem CID123300082
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name5-(difluoromethyl)-1-(2-methylpropyl)pyrazole
SMILESCC(C)Cn1nccc1C(F)F
InChIInChI=1S/C8H12F2N2/c1-6(2)5-12-7(8(9)10)3-4-11-12/h3-4,6,8H,5H2,1-2H3
InChIKeyYHONJINJXYGRFU-UHFFFAOYSA-N
XLogP2.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
(1-Methyl-1H-pyrazol-5-yl)methanamine
CID 7019421
1,5-Dimethylpyrazole
CID 136502
N-Hydroxymethyl-3-methylpyrazole
CID 127159
1-(2-Chloroethyl)-3-methyl-1H-pyrazole
CID 13764853
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
3-Ethenyl-1,2-dimethylpyrazol-1-ium
CID 170067118
1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CID 672402
3-Ethynyl-1,2-dimethylpyrazol-1-ium
CID 123662699
1-Ethenyl-5-methyl-1h-pyrazole
CID 186634

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole?
The IUPAC name of 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole (CID 123300082) is 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole?
The canonical SMILES for 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole is CC(C)Cn1nccc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole?
The InChIKey is YHONJINJXYGRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-6(2)5-12-7(8(9)10)3-4-11-12/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole?
5-(difluoromethyl)-1-(2-methylpropyl)pyrazole has a molecular weight of 174.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 123300082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).