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

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Related Compounds

4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95202871
[3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
CID 56738385
2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 42431673
[1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70769822
3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 56759715
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
(3R)-1-(2,2-dimethylpropyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42276653
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56720943
1-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 56754651
6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
CID 56711059
(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56752151
4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 56741084

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).