2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid

C17H16N2O2 — CID 70526309

IUPAC2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid
SMILESO=C(O)CC1CN(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-16(21)11-14-12-19(15-9-5-2-6-10-15)18-17(14)13-7-3-1-4-8-13/h1-10,14H,11-12H2,(H,20,21)
InChIKeyVMXBWXVFLANBDJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.00
Rot. Bonds4

About 2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid

2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid (PubChem CID 70526309) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid
PubChem CID70526309
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid
SMILESO=C(O)CC1CN(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-16(21)11-14-12-19(15-9-5-2-6-10-15)18-17(14)13-7-3-1-4-8-13/h1-10,14H,11-12H2,(H,20,21)
InChIKeyVMXBWXVFLANBDJ-UHFFFAOYSA-N
XLogP3.00
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid?
The IUPAC name of 2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid (CID 70526309) is 2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid is O=C(O)CC1CN(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid?
The InChIKey is VMXBWXVFLANBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16(21)11-14-12-19(15-9-5-2-6-10-15)18-17(14)13-7-3-1-4-8-13/h1-10,14H,11-12H2,(H,20,21).
What are the key properties of 2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid?
2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid has a molecular weight of 280.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diphenyl-3,4-dihydropyrazol-4-yl)acetic acid is sourced from PubChem (CID 70526309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).