3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid

C7H9ClN2O2 — CID 7018414

IUPAC3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid
SMILESCc1c(Cl)cnn1CCC(=O)O
InChIInChI=1S/C7H9ClN2O2/c1-5-6(8)4-9-10(5)3-2-7(11)12/h4H,2-3H2,1H3,(H,11,12)
InChIKeyVCKABMDGGVYSJS-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.32
Rot. Bonds3

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

3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid (PubChem CID 7018414) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid
PubChem CID7018414
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid
SMILESCc1c(Cl)cnn1CCC(=O)O
InChIInChI=1S/C7H9ClN2O2/c1-5-6(8)4-9-10(5)3-2-7(11)12/h4H,2-3H2,1H3,(H,11,12)
InChIKeyVCKABMDGGVYSJS-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-Methyl-1H-pyrazol-1-yl)propanoic acid
CID 814994
3-(3-methyl-1H-pyrazol-1-yl)propanoic acid
CID 776840
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid
CID 3268477
3-(4-iodo-3-methyl-1H-pyrazol-1-yl)propanoic acid
CID 17024701
3-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-propionic acid
CID 3159600
2-(4-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 19576709
4-Iodo-5-methyl-1H-pyrazole-1-propanoic acid
CID 7018420
4-Chloro-3-methyl-1H-pyrazole-1-propanoic acid
CID 7018410
Methyl 3-(4-chloro-3-methylpyrazol-1-yl)propionate
CID 64452773
2-[4-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
CID 19576681
4-[4-Chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 19620055
2-[4-Chloro-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19620189

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid?
The IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid (CID 7018414) is 3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid is Cc1c(Cl)cnn1CCC(=O)O.
What is the InChIKey of 3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid?
The InChIKey is VCKABMDGGVYSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-5-6(8)4-9-10(5)3-2-7(11)12/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid?
3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid has a molecular weight of 188.61 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 7018414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).