2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid

C7H8ClFN2O2 — CID 71056319

IUPAC2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid
SMILESCc1c(Cl)c(CF)nn1CC(=O)O
InChIInChI=1S/C7H8ClFN2O2/c1-4-7(8)5(2-9)10-11(4)3-6(12)13/h2-3H2,1H3,(H,12,13)
InChIKeyZXINRTQQXJAHIE-UHFFFAOYSA-N
MW206.60 g/mol
LogP1.40
Rot. Bonds3

About 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid

2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid (PubChem CID 71056319) has the molecular formula C7H8ClFN2O2 and a molecular weight of 206.60 g/mol. Its IUPAC name is 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid
PubChem CID71056319
Molecular FormulaC7H8ClFN2O2
Molecular Weight206.60 g/mol
Exact Mass206.03
IUPAC Name2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid
SMILESCc1c(Cl)c(CF)nn1CC(=O)O
InChIInChI=1S/C7H8ClFN2O2/c1-4-7(8)5(2-9)10-11(4)3-6(12)13/h2-3H2,1H3,(H,12,13)
InChIKeyZXINRTQQXJAHIE-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.60
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CID 919266
(3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid
CID 572875
2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetic acid
CID 651055
(4-Amino-3,5-dimethyl-pyrazol-1-yl)-acetic acid
CID 3159650
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CID 819616
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 3162904
(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid
CID 1876853
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 19619539
ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate
CID 757300
3-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-propionic acid
CID 3159600
1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one
CID 3806122
2-(3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 6485412

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid (CID 71056319) is 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid is Cc1c(Cl)c(CF)nn1CC(=O)O.
What is the InChIKey of 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid?
The InChIKey is ZXINRTQQXJAHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O2/c1-4-7(8)5(2-9)10-11(4)3-6(12)13/h2-3H2,1H3,(H,12,13).
What are the key properties of 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid?
2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid has a molecular weight of 206.60 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 71056319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).