3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid

C8H11ClN2O2 — CID 83832130

IUPAC3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid
SMILESCC(Cc1c(Cl)cnn1C)C(=O)O
InChIInChI=1S/C8H11ClN2O2/c1-5(8(12)13)3-7-6(9)4-10-11(7)2/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyDALYCVIGRWDVCZ-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.34
Rot. Bonds3

About 3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid

3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid (PubChem CID 83832130) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid
PubChem CID83832130
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid
SMILESCC(Cc1c(Cl)cnn1C)C(=O)O
InChIInChI=1S/C8H11ClN2O2/c1-5(8(12)13)3-7-6(9)4-10-11(7)2/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyDALYCVIGRWDVCZ-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
CID 105423932
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanal
CID 83828956
1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-3-one
CID 114663560
3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
CID 105423824
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 106139180
4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol
CID 114664884
2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid
CID 105464311
3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid
CID 83845216
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670407
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropyl]cyclopropanamine
CID 114664509
N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 114667317

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid (CID 83832130) is 3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid is CC(Cc1c(Cl)cnn1C)C(=O)O.
What is the InChIKey of 3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid?
The InChIKey is DALYCVIGRWDVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-5(8(12)13)3-7-6(9)4-10-11(7)2/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid?
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid has a molecular weight of 202.64 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83832130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).