1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole

C8H12F2N2 — CID 58029751

IUPAC1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(CC(F)F)n1
InChIInChI=1S/C8H12F2N2/c1-6(2)7-3-4-12(11-7)5-8(9)10/h3-4,6,8H,5H2,1-2H3
InChIKeyDRJRDEDPIAOXAA-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.27
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole

1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole (PubChem CID 58029751) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole
PubChem CID58029751
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(CC(F)F)n1
InChIInChI=1S/C8H12F2N2/c1-6(2)7-3-4-12(11-7)5-8(9)10/h3-4,6,8H,5H2,1-2H3
InChIKeyDRJRDEDPIAOXAA-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole 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

3-Ethyl-1-methyl-1H-pyrazole
CID 12581083
1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 12251378
4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
1-Methyl-3-t-butylpyrazole
CID 145633
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-3-yl)cyclopropan-1-amine dihydrochloride
CID 129841883
1-(1-Ethyl-1H-pyrazol-3-yl)ethan-1-amine
CID 17024749
3-cyclopropyl-1-methyl-1H-pyrazole
CID 23300060
3-cyclopropyl-1-ethyl-1H-pyrazole
CID 25247549
5-cyclopropyl-1-methyl-1H-pyrazole
CID 25247754
2-(1-methyl-1H-pyrazol-5-yl)acetonitrile
CID 25248374
2-(1-methyl-1H-pyrazol-3-yl)ethan-1-amine
CID 49757585
2-(1-methyl-1H-pyrazol-3-yl)acetonitrile
CID 50896755

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole (CID 58029751) is 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole is CC(C)c1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole?
The InChIKey is DRJRDEDPIAOXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-6(2)7-3-4-12(11-7)5-8(9)10/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole?
1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole has a molecular weight of 174.19 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole is sourced from PubChem (CID 58029751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).