2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid

C14H13ClN2O2 — CID 117443366

IUPAC2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(-n3cccn3)c(Cl)c2)CC1
InChIInChI=1S/C14H13ClN2O2/c15-11-8-10(14(4-5-14)9-13(18)19)2-3-12(11)17-7-1-6-16-17/h1-3,6-8H,4-5,9H2,(H,18,19)
InChIKeyILMMRASXWCMYGQ-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.03
Rot. Bonds4

About 2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid

2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid (PubChem CID 117443366) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid
PubChem CID117443366
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(-n3cccn3)c(Cl)c2)CC1
InChIInChI=1S/C14H13ClN2O2/c15-11-8-10(14(4-5-14)9-13(18)19)2-3-12(11)17-7-1-6-16-17/h1-3,6-8H,4-5,9H2,(H,18,19)
InChIKeyILMMRASXWCMYGQ-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]acetic acid
CID 117445136
2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
CID 82391155
2-[1-[3-chloro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117389821
3-(3-chloro-4-pyrazol-1-ylphenyl)-2,2-dimethylpropanoic acid
CID 117446996
3-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylpropanoic acid
CID 117416193
2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid
CID 84785166
2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid
CID 117450821
1-(2-chloro-4-fluorophenyl)pyrazole
CID 91212691
3-(3-chloro-4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117466352
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
N-(3-chloro-4-pyrazol-1-ylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930811
N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119771638

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid (CID 117443366) is 2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid is O=C(O)CC1(c2ccc(-n3cccn3)c(Cl)c2)CC1.
What is the InChIKey of 2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid?
The InChIKey is ILMMRASXWCMYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-8-10(14(4-5-14)9-13(18)19)2-3-12(11)17-7-1-6-16-17/h1-3,6-8H,4-5,9H2,(H,18,19).
What are the key properties of 2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid?
2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid has a molecular weight of 276.72 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117443366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).