2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid

C23H24N2O2 — CID 20542731

IUPAC2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1c(C2CCCCC2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H24N2O2/c26-21(27)16-20-22(17-10-4-1-5-11-17)24-25(19-14-8-3-9-15-19)23(20)18-12-6-2-7-13-18/h2-3,6-9,12-15,17H,1,4-5,10-11,16H2,(H,26,27)
InChIKeyQGOVUUCDVMVZEX-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.21
Rot. Bonds5

About 2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid

2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid (PubChem CID 20542731) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid
PubChem CID20542731
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1c(C2CCCCC2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H24N2O2/c26-21(27)16-20-22(17-10-4-1-5-11-17)24-25(19-14-8-3-9-15-19)23(20)18-12-6-2-7-13-18/h2-3,6-9,12-15,17H,1,4-5,10-11,16H2,(H,26,27)
InChIKeyQGOVUUCDVMVZEX-UHFFFAOYSA-N
XLogP5.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid (CID 20542731) is 2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid is O=C(O)Cc1c(C2CCCCC2)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid?
The InChIKey is QGOVUUCDVMVZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-21(27)16-20-22(17-10-4-1-5-11-17)24-25(19-14-8-3-9-15-19)23(20)18-12-6-2-7-13-18/h2-3,6-9,12-15,17H,1,4-5,10-11,16H2,(H,26,27).
What are the key properties of 2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid?
2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid has a molecular weight of 360.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-1,5-diphenylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 20542731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).