5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole

C10H15ClF2N2 — CID 130820038

IUPAC5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole
SMILESCC(n1nc(C(F)F)cc1Cl)C(C)(C)C
InChIInChI=1S/C10H15ClF2N2/c1-6(10(2,3)4)15-8(11)5-7(14-15)9(12)13/h5-6,9H,1-4H3
InChIKeyHQAJEEHYTDSAJZ-UHFFFAOYSA-N
MW236.69 g/mol
LogP4.08
Rot. Bonds2

About 5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole

5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole (PubChem CID 130820038) has the molecular formula C10H15ClF2N2 and a molecular weight of 236.69 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole
PubChem CID130820038
Molecular FormulaC10H15ClF2N2
Molecular Weight236.69 g/mol
Exact Mass236.09
IUPAC Name5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole
SMILESCC(n1nc(C(F)F)cc1Cl)C(C)(C)C
InChIInChI=1S/C10H15ClF2N2/c1-6(10(2,3)4)15-8(11)5-7(14-15)9(12)13/h5-6,9H,1-4H3
InChIKeyHQAJEEHYTDSAJZ-UHFFFAOYSA-N
XLogP4.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.69
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)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

5-chloro-1,3-di(propan-2-yl)pyrazole
CID 66020569
5-chloro-1-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole
CID 130917876
1-benzyl-5-chloro-3-(difluoromethyl)pyrazole
CID 66022590
(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid
CID 7018497
1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 177049933
4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine
CID 79823295
1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole
CID 130820048
5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole
CID 66021366
1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole
CID 104509033
5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 66020727
(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide
CID 7018494
1-[(2-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole
CID 66015311

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole?
The IUPAC name of 5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole (CID 130820038) is 5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole is CC(n1nc(C(F)F)cc1Cl)C(C)(C)C.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole?
The InChIKey is HQAJEEHYTDSAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF2N2/c1-6(10(2,3)4)15-8(11)5-7(14-15)9(12)13/h5-6,9H,1-4H3.
What are the key properties of 5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole?
5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole has a molecular weight of 236.69 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole is sourced from PubChem (CID 130820038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).