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

C11H15ClN2O2 — CID 83899481

IUPAC3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid
SMILESCC(Cc1c(C2CC2)nn(C)c1Cl)C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-6(11(15)16)5-8-9(7-3-4-7)13-14(2)10(8)12/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyPTUSLYOZTPBTAE-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.21
Rot. Bonds4

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

3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid (PubChem CID 83899481) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid
PubChem CID83899481
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid
SMILESCC(Cc1c(C2CC2)nn(C)c1Cl)C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-6(11(15)16)5-8-9(7-3-4-7)13-14(2)10(8)12/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyPTUSLYOZTPBTAE-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol
CID 83675737
(2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid
CID 68713039
2-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)propan-1-amine
CID 83886212
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid
CID 83832130
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid
CID 65295795
3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid
CID 105479319
6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylheptanoic acid
CID 65289338
4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid
CID 82408526
1-butan-2-yl-5-chloro-4-(chloromethyl)-3-cyclopropylpyrazole
CID 63353989
5-(4-butylcyclohexyl)-2-methyl-4-(2-methylpropyl)pyrazol-3-amine
CID 63525726
2-methyl-3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116965792
2-methyl-3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid
CID 84687712

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid (CID 83899481) is 3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid is CC(Cc1c(C2CC2)nn(C)c1Cl)C(=O)O.
What is the InChIKey of 3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid?
The InChIKey is PTUSLYOZTPBTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-6(11(15)16)5-8-9(7-3-4-7)13-14(2)10(8)12/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid?
3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid has a molecular weight of 242.71 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83899481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).