1-(difluoromethyl)-3,4,5-trimethylpyrazole

C7H10F2N2 — CID 21136569

IUPAC1-(difluoromethyl)-3,4,5-trimethylpyrazole
SMILESCc1nn(C(F)F)c(C)c1C
InChIInChI=1S/C7H10F2N2/c1-4-5(2)10-11(6(4)3)7(8)9/h7H,1-3H3
InChIKeyZACREQITRUEDAW-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.20
Rot. Bonds1

About 1-(difluoromethyl)-3,4,5-trimethylpyrazole

1-(difluoromethyl)-3,4,5-trimethylpyrazole (PubChem CID 21136569) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,4,5-trimethylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3,4,5-trimethylpyrazole
PubChem CID21136569
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1-(difluoromethyl)-3,4,5-trimethylpyrazole
SMILESCc1nn(C(F)F)c(C)c1C
InChIInChI=1S/C7H10F2N2/c1-4-5(2)10-11(6(4)3)7(8)9/h7H,1-3H3
InChIKeyZACREQITRUEDAW-UHFFFAOYSA-N
XLogP2.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(difluoromethyl)-3,4,5-trimethylpyrazole 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

4-ethynyl-1,3,5-trimethyl-1H-pyrazole
CID 12299300
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
4-Iodo-1,3,5-trimethyl-1H-pyrazole
CID 616702
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime
CID 9559822
Sbb010340
CID 6492580
4-Bromo-1,5-Dimethyl-3-(Trifluoromethyl)-1H-Pyrazole
CID 11859045
2-(trimethyl-1H-pyrazol-4-yl)acetonitrile
CID 13792877
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
4-bromo-3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 62128429

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,4,5-trimethylpyrazole?
The IUPAC name of 1-(difluoromethyl)-3,4,5-trimethylpyrazole (CID 21136569) is 1-(difluoromethyl)-3,4,5-trimethylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-3,4,5-trimethylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-3,4,5-trimethylpyrazole is Cc1nn(C(F)F)c(C)c1C.
What is the InChIKey of 1-(difluoromethyl)-3,4,5-trimethylpyrazole?
The InChIKey is ZACREQITRUEDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-4-5(2)10-11(6(4)3)7(8)9/h7H,1-3H3.
What are the key properties of 1-(difluoromethyl)-3,4,5-trimethylpyrazole?
1-(difluoromethyl)-3,4,5-trimethylpyrazole has a molecular weight of 160.17 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,4,5-trimethylpyrazole is sourced from PubChem (CID 21136569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).