5-chloro-1-methyl-3-(trifluoromethyl)pyrazole

C5H4ClF3N2 — CID 1259981

IUPAC5-chloro-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1Cl
InChIInChI=1S/C5H4ClF3N2/c1-11-4(6)2-3(10-11)5(7,8)9/h2H,1H3
InChIKeyAXVYNMMTYBGOFD-UHFFFAOYSA-N
MW184.55 g/mol
LogP2.09
Rot. Bonds

About 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole

5-chloro-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 1259981) has the molecular formula C5H4ClF3N2 and a molecular weight of 184.55 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID1259981
Molecular FormulaC5H4ClF3N2
Molecular Weight184.55 g/mol
Exact Mass184.00
IUPAC Name5-chloro-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1Cl
InChIInChI=1S/C5H4ClF3N2/c1-11-4(6)2-3(10-11)5(7,8)9/h2H,1H3
InChIKeyAXVYNMMTYBGOFD-UHFFFAOYSA-N
XLogP2.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.55
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole (CID 1259981) is 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is AXVYNMMTYBGOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N2/c1-11-4(6)2-3(10-11)5(7,8)9/h2H,1H3.
What are the key properties of 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole?
5-chloro-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 184.55 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 1259981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).