4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole

C9H8ClF3N4 — CID 70967674

IUPAC4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole
SMILESCc1c(Cl)c(-n2ccc(C(F)(F)F)n2)nn1C
InChIInChI=1S/C9H8ClF3N4/c1-5-7(10)8(15-16(5)2)17-4-3-6(14-17)9(11,12)13/h3-4H,1-2H3
InChIKeyVNIQEPZVFBMNIL-UHFFFAOYSA-N
MW264.64 g/mol
LogP2.59
Rot. Bonds1

About 4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole

4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole (PubChem CID 70967674) has the molecular formula C9H8ClF3N4 and a molecular weight of 264.64 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole
PubChem CID70967674
Molecular FormulaC9H8ClF3N4
Molecular Weight264.64 g/mol
Exact Mass264.04
IUPAC Name4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole
SMILESCc1c(Cl)c(-n2ccc(C(F)(F)F)n2)nn1C
InChIInChI=1S/C9H8ClF3N4/c1-5-7(10)8(15-16(5)2)17-4-3-6(14-17)9(11,12)13/h3-4H,1-2H3
InChIKeyVNIQEPZVFBMNIL-UHFFFAOYSA-N
XLogP2.59
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole?
The IUPAC name of 4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole (CID 70967674) is 4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole.
What is the SMILES notation for 4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole?
The canonical SMILES for 4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole is Cc1c(Cl)c(-n2ccc(C(F)(F)F)n2)nn1C.
What is the InChIKey of 4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole?
The InChIKey is VNIQEPZVFBMNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N4/c1-5-7(10)8(15-16(5)2)17-4-3-6(14-17)9(11,12)13/h3-4H,1-2H3.
What are the key properties of 4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole?
4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole has a molecular weight of 264.64 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole is sourced from PubChem (CID 70967674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).