5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid

C23H22N2O3 — CID 126754536

IUPAC5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(-c3cccc(C4CCCO4)c3)c2)c1C1CC1
InChIInChI=1S/C23H22N2O3/c26-23(27)20-14-24-25(22(20)15-9-10-15)19-7-2-5-17(13-19)16-4-1-6-18(12-16)21-8-3-11-28-21/h1-2,4-7,12-15,21H,3,8-11H2,(H,26,27)
InChIKeyQIXMZWCRXHJAOG-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.97
Rot. Bonds5

About 5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid

5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid (PubChem CID 126754536) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid
PubChem CID126754536
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(-c3cccc(C4CCCO4)c3)c2)c1C1CC1
InChIInChI=1S/C23H22N2O3/c26-23(27)20-14-24-25(22(20)15-9-10-15)19-7-2-5-17(13-19)16-4-1-6-18(12-16)21-8-3-11-28-21/h1-2,4-7,12-15,21H,3,8-11H2,(H,26,27)
InChIKeyQIXMZWCRXHJAOG-UHFFFAOYSA-N
XLogP4.97
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361451
5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 82361438
1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid
CID 43542935
1-(4-methylphenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361466
1-(2,6-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361456
5-cyclopropyl-1-[3-[(1R)-3-(dimethylcarbamoyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
CID 139318399
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 28606372
1-[3-[3-[cyclopentylmethyl(methyl)carbamoyl]-2-fluorophenyl]phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
CID 126754599
5-cyclopropyl-1-[3-[3-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
CID 126749394
5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid
CID 126753983
5-cyclopropyl-1-[3-[2-fluoro-3-(2-oxa-8-azaspiro[5.5]undecane-8-carbonyl)phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754460
3-[(2S)-oxolan-2-yl]benzoic acid
CID 99934746

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid (CID 126754536) is 5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cccc(-c3cccc(C4CCCO4)c3)c2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid?
The InChIKey is QIXMZWCRXHJAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-23(27)20-14-24-25(22(20)15-9-10-15)19-7-2-5-17(13-19)16-4-1-6-18(12-16)21-8-3-11-28-21/h1-2,4-7,12-15,21H,3,8-11H2,(H,26,27).
What are the key properties of 5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid?
5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 126754536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).