3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole

C5H4ClF3N2 — CID 66023217

IUPAC3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCc1c(Cl)n[nH]c1C(F)(F)F
InChIInChI=1S/C5H4ClF3N2/c1-2-3(5(7,8)9)10-11-4(2)6/h1H3,(H,10,11)
InChIKeyHJIACKPIGFHKDM-UHFFFAOYSA-N
MW184.55 g/mol
LogP2.39
Rot. Bonds

About 3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole

3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 66023217) has the molecular formula C5H4ClF3N2 and a molecular weight of 184.55 g/mol. Its IUPAC name is 3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID66023217
Molecular FormulaC5H4ClF3N2
Molecular Weight184.55 g/mol
Exact Mass184.00
IUPAC Name3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCc1c(Cl)n[nH]c1C(F)(F)F
InChIInChI=1S/C5H4ClF3N2/c1-2-3(5(7,8)9)10-11-4(2)6/h1H3,(H,10,11)
InChIKeyHJIACKPIGFHKDM-UHFFFAOYSA-N
XLogP2.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.55
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole (CID 66023217) is 3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole is Cc1c(Cl)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is HJIACKPIGFHKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N2/c1-2-3(5(7,8)9)10-11-4(2)6/h1H3,(H,10,11).
What are the key properties of 3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole?
3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 184.55 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 66023217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).