2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid

C21H20N2O2 — CID 130386924

IUPAC2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CCc1ccc(-c2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C21H20N2O2/c24-21(25)20-14-18(20)10-7-15-5-8-16(9-6-15)17-3-1-4-19(13-17)23-12-2-11-22-23/h1-6,8-9,11-13,18,20H,7,10,14H2,(H,24,25)
InChIKeyZISSVFLRFRCVJL-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.19
Rot. Bonds6

About 2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid

2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid (PubChem CID 130386924) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
PubChem CID130386924
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CCc1ccc(-c2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C21H20N2O2/c24-21(25)20-14-18(20)10-7-15-5-8-16(9-6-15)17-3-1-4-19(13-17)23-12-2-11-22-23/h1-6,8-9,11-13,18,20H,7,10,14H2,(H,24,25)
InChIKeyZISSVFLRFRCVJL-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid (CID 130386924) is 2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1CCc1ccc(-c2cccc(-n3cccn3)c2)cc1.
What is the InChIKey of 2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZISSVFLRFRCVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(25)20-14-18(20)10-7-15-5-8-16(9-6-15)17-3-1-4-19(13-17)23-12-2-11-22-23/h1-6,8-9,11-13,18,20H,7,10,14H2,(H,24,25).
What are the key properties of 2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-pyrazol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130386924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).