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

C10H16ClF3N2 — CID 142843311

IUPAC4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane
SMILESCC.CC(C)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H10ClF3N2.C2H6/c1-4(2)6-5(9)7(8(10,11)12)13-14(6)3;1-2/h4H,1-3H3;1-2H3
InChIKeySUIGDQPBRZFZAC-UHFFFAOYSA-N
MW256.70 g/mol
LogP4.24
Rot. Bonds1

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

4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane (PubChem CID 142843311) has the molecular formula C10H16ClF3N2 and a molecular weight of 256.70 g/mol. Its IUPAC name is 4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane.

Molecular Properties

Compound Name4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane
PubChem CID142843311
Molecular FormulaC10H16ClF3N2
Molecular Weight256.70 g/mol
Exact Mass256.10
IUPAC Name4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane
SMILESCC.CC(C)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H10ClF3N2.C2H6/c1-4(2)6-5(9)7(8(10,11)12)13-14(6)3;1-2/h4H,1-3H3;1-2H3
InChIKeySUIGDQPBRZFZAC-UHFFFAOYSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane?
The IUPAC name of 4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane (CID 142843311) is 4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane.
What is the SMILES notation for 4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane?
The canonical SMILES for 4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane is CC.CC(C)c1c(Cl)c(C(F)(F)F)nn1C.
What is the InChIKey of 4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane?
The InChIKey is SUIGDQPBRZFZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2.C2H6/c1-4(2)6-5(9)7(8(10,11)12)13-14(6)3;1-2/h4H,1-3H3;1-2H3.
What are the key properties of 4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane?
4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane has a molecular weight of 256.70 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;ethane is sourced from PubChem (CID 142843311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).