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

C8H10ClF3N2 — CID 58279026

IUPAC5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C8H10ClF3N2/c1-4(2)5-6(8(10,11)12)13-14(3)7(5)9/h4H,1-3H3
InChIKeyYDOPJJNAKZBSNN-UHFFFAOYSA-N
MW226.63 g/mol
LogP3.22
Rot. Bonds1

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

5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 58279026) has the molecular formula C8H10ClF3N2 and a molecular weight of 226.63 g/mol. Its IUPAC name is 5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID58279026
Molecular FormulaC8H10ClF3N2
Molecular Weight226.63 g/mol
Exact Mass226.05
IUPAC Name5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C8H10ClF3N2/c1-4(2)5-6(8(10,11)12)13-14(3)7(5)9/h4H,1-3H3
InChIKeyYDOPJJNAKZBSNN-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.63
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-4-(chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 43156578
4-(2-chloroethyl)-1,3,5-trimethyl-1H-pyrazole
CID 23005969
2-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)acetonitrile
CID 75480775
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine hydrochloride
CID 165895856
1-(Difluoromethyl)-3,4,5-trimethylpyrazole
CID 21136569
5-chloro-1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazole
CID 22087346
4-(1,2-Dichloroethyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 22380993
1,3,5-Trimethyl-4-(trifluoromethyl)-1H-pyrazole
CID 22980766
4-(1-Chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 23065168
1,3,4-Trimethyl-5-(trifluoromethyl)pyrazole
CID 23392033
1,4,5-Trimethyl-3-(trifluoromethyl)pyrazole
CID 23392035
3-Chloro-1,4-dimethyl-5-(trifluoromethyl)pyrazole
CID 23392073

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 58279026) is 5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)c1c(C(F)(F)F)nn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is YDOPJJNAKZBSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2/c1-4(2)5-6(8(10,11)12)13-14(3)7(5)9/h4H,1-3H3.
What are the key properties of 5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 226.63 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 58279026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).