2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid

C19H23N3O2 — CID 72914716

IUPAC2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
SMILESCc1nn(C)c(C)c1C(C(=O)O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c1-13-17(14(2)21(3)20-13)18(19(23)24)22-11-9-16(10-12-22)15-7-5-4-6-8-15/h4-9,18H,10-12H2,1-3H3,(H,23,24)
InChIKeyPIYSDHDRPOTKPD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.95
Rot. Bonds4

About 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid

2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid (PubChem CID 72914716) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
PubChem CID72914716
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
SMILESCc1nn(C)c(C)c1C(C(=O)O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c1-13-17(14(2)21(3)20-13)18(19(23)24)22-11-9-16(10-12-22)15-7-5-4-6-8-15/h4-9,18H,10-12H2,1-3H3,(H,23,24)
InChIKeyPIYSDHDRPOTKPD-UHFFFAOYSA-N
XLogP2.95
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid (CID 72914716) is 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid is Cc1nn(C)c(C)c1C(C(=O)O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid?
The InChIKey is PIYSDHDRPOTKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-17(14(2)21(3)20-13)18(19(23)24)22-11-9-16(10-12-22)15-7-5-4-6-8-15/h4-9,18H,10-12H2,1-3H3,(H,23,24).
What are the key properties of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid?
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid has a molecular weight of 325.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 72914716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).