3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid

C15H15ClN2O2 — CID 117469780

IUPAC3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(c1ccc(-n2nccc2Cl)cc1)C1CC1
InChIInChI=1S/C15H15ClN2O2/c16-14-7-8-17-18(14)12-5-3-11(4-6-12)13(9-15(19)20)10-1-2-10/h3-8,10,13H,1-2,9H2,(H,19,20)
InChIKeyOVKTZJSWXLCOEY-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.49
Rot. Bonds5

About 3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid

3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid (PubChem CID 117469780) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid
PubChem CID117469780
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(c1ccc(-n2nccc2Cl)cc1)C1CC1
InChIInChI=1S/C15H15ClN2O2/c16-14-7-8-17-18(14)12-5-3-11(4-6-12)13(9-15(19)20)10-1-2-10/h3-8,10,13H,1-2,9H2,(H,19,20)
InChIKeyOVKTZJSWXLCOEY-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-3-(oxan-4-yl)propanoic acid;ethane
CID 144917380
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
(3S)-3-(3-amino-4-chlorophenyl)-3-cyclopropylpropanoic acid;hydrochloride
CID 142599841
3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid
CID 117484147
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83819863
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propanoic acid
CID 117435830
3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid
CID 83875396
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
3-[3-chloro-4-(1-methylazetidin-3-yl)phenyl]-3-cyclopropylpropanoic acid
CID 117474023
3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-6-yl)propanoic acid
CID 117364715

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid?
The IUPAC name of 3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid (CID 117469780) is 3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid is O=C(O)CC(c1ccc(-n2nccc2Cl)cc1)C1CC1.
What is the InChIKey of 3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid?
The InChIKey is OVKTZJSWXLCOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-14-7-8-17-18(14)12-5-3-11(4-6-12)13(9-15(19)20)10-1-2-10/h3-8,10,13H,1-2,9H2,(H,19,20).
What are the key properties of 3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid?
3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid has a molecular weight of 290.75 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117469780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).