4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole

C9H12ClF3N2 — CID 59833776

IUPAC4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCCc1nn(C(C)C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C9H12ClF3N2/c1-4-6-7(10)8(9(11,12)13)15(14-6)5(2)3/h5H,4H2,1-3H3
InChIKeyVUQLRRUJCXFBKV-UHFFFAOYSA-N
MW240.66 g/mol
LogP3.70
Rot. Bonds2

About 4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole

4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole (PubChem CID 59833776) has the molecular formula C9H12ClF3N2 and a molecular weight of 240.66 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
PubChem CID59833776
Molecular FormulaC9H12ClF3N2
Molecular Weight240.66 g/mol
Exact Mass240.06
IUPAC Name4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCCc1nn(C(C)C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C9H12ClF3N2/c1-4-6-7(10)8(9(11,12)13)15(14-6)5(2)3/h5H,4H2,1-3H3
InChIKeyVUQLRRUJCXFBKV-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1,3,5-trimethyl-1 H-pyrazole
CID 13951696
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile
CID 7017522
1-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 71053772
4-chloro-5-(chloromethyl)-3-ethyl-1-methyl-1H-pyrazole hydrochloride
CID 155822235
4-Chloro-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole
CID 129794178
4-Chloro-1,5-dimethyl-3-(trifluoromethyl)-1h-pyrazole
CID 14770656
4-Chloro-1,3-dimethyl-5-(trifluoromethyl)pyrazole
CID 20616026
5-Tert-butyl-4-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 58157460
5-Chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 59744009
[4-Chloro-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrazol-1-ium-3-yl]methanamine
CID 59826472
3-(azidomethyl)-4-chloro-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium
CID 59826474
4-chloro-3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium
CID 59826479

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole (CID 59833776) is 4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole is CCc1nn(C(C)C)c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The InChIKey is VUQLRRUJCXFBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF3N2/c1-4-6-7(10)8(9(11,12)13)15(14-6)5(2)3/h5H,4H2,1-3H3.
What are the key properties of 4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole has a molecular weight of 240.66 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59833776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).