2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid

C17H21N3O2 — CID 56741273

IUPAC2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid
SMILESCc1cccc(-c2cn[nH]c2C2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C17H21N3O2/c1-12-3-2-4-14(9-12)15-10-18-19-17(15)13-5-7-20(8-6-13)11-16(21)22/h2-4,9-10,13H,5-8,11H2,1H3,(H,18,19)(H,21,22)
InChIKeyCKIRRZCYMXJJRJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.65
Rot. Bonds4

About 2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid

2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid (PubChem CID 56741273) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid
PubChem CID56741273
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid
SMILESCc1cccc(-c2cn[nH]c2C2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C17H21N3O2/c1-12-3-2-4-14(9-12)15-10-18-19-17(15)13-5-7-20(8-6-13)11-16(21)22/h2-4,9-10,13H,5-8,11H2,1H3,(H,18,19)(H,21,22)
InChIKeyCKIRRZCYMXJJRJ-UHFFFAOYSA-N
XLogP2.65
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-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-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid (CID 56741273) is 2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid is Cc1cccc(-c2cn[nH]c2C2CCN(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid?
The InChIKey is CKIRRZCYMXJJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-3-2-4-14(9-12)15-10-18-19-17(15)13-5-7-20(8-6-13)11-16(21)22/h2-4,9-10,13H,5-8,11H2,1H3,(H,18,19)(H,21,22).
What are the key properties of 2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid?
2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 56741273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).