2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid

C7H9ClN2O2 — CID 919266

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1Cl
InChIInChI=1S/C7H9ClN2O2/c1-4-7(8)5(2)10(9-4)3-6(11)12/h3H2,1-2H3,(H,11,12)
InChIKeyPSXIFNAQYKUAOF-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.24
Rot. Bonds2

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid

2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid (PubChem CID 919266) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid
PubChem CID919266
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1Cl
InChIInChI=1S/C7H9ClN2O2/c1-4-7(8)5(2)10(9-4)3-6(11)12/h3H2,1-2H3,(H,11,12)
InChIKeyPSXIFNAQYKUAOF-UHFFFAOYSA-N
XLogP1.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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-3,5-dimethyl-1H-pyrazol-1-yl)methanol
CID 7018577
(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid
CID 1876853
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-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 17024557
isopropyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate
CID 779330

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid (CID 919266) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid is Cc1nn(CC(=O)O)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid?
The InChIKey is PSXIFNAQYKUAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-4-7(8)5(2)10(9-4)3-6(11)12/h3H2,1-2H3,(H,11,12).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid has a molecular weight of 188.61 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 919266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).