2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid

C16H19N3O2 — CID 124992115

IUPAC2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1CN1CCCC[C@H]1c1ccn[nH]1
InChIInChI=1S/C16H19N3O2/c20-16(21)13-6-2-1-5-12(13)11-19-10-4-3-7-15(19)14-8-9-17-18-14/h1-2,5-6,8-9,15H,3-4,7,10-11H2,(H,17,18)(H,20,21)/t15-/m0/s1
InChIKeyPOESIYSQUPNSCV-HNNXBMFYSA-N
MW285.35 g/mol
LogP2.84
Rot. Bonds4

About 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid

2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid (PubChem CID 124992115) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
PubChem CID124992115
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1CN1CCCC[C@H]1c1ccn[nH]1
InChIInChI=1S/C16H19N3O2/c20-16(21)13-6-2-1-5-12(13)11-19-10-4-3-7-15(19)14-8-9-17-18-14/h1-2,5-6,8-9,15H,3-4,7,10-11H2,(H,17,18)(H,20,21)/t15-/m0/s1
InChIKeyPOESIYSQUPNSCV-HNNXBMFYSA-N
XLogP2.84
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[[3-(1H-pyrazol-5-yl)morpholin-4-yl]methyl]benzoic acid
CID 110114596
2-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 95200148
2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95841214
1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 73439904
(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 123681411
2-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124975597
2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124641351
1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 110096187
(1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol
CID 125142936
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
CID 124993082
1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine
CID 110106146
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 154794150

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid?
The IUPAC name of 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid (CID 124992115) is 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid is O=C(O)c1ccccc1CN1CCCC[C@H]1c1ccn[nH]1.
What is the InChIKey of 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid?
The InChIKey is POESIYSQUPNSCV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(21)13-6-2-1-5-12(13)11-19-10-4-3-7-15(19)14-8-9-17-18-14/h1-2,5-6,8-9,15H,3-4,7,10-11H2,(H,17,18)(H,20,21)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid?
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid has a molecular weight of 285.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 124992115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).