2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid

C17H19N3O3 — CID 19482706

IUPAC2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1C(=O)N1CCCCC1c1ccccc1
InChIInChI=1S/C17H19N3O3/c21-16(22)12-20-15(9-10-18-20)17(23)19-11-5-4-8-14(19)13-6-2-1-3-7-13/h1-3,6-7,9-10,14H,4-5,8,11-12H2,(H,21,22)
InChIKeyLEDLXTSGLLPBAH-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.34
Rot. Bonds4

About 2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid

2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid (PubChem CID 19482706) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
PubChem CID19482706
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1C(=O)N1CCCCC1c1ccccc1
InChIInChI=1S/C17H19N3O3/c21-16(22)12-20-15(9-10-18-20)17(23)19-11-5-4-8-14(19)13-6-2-1-3-7-13/h1-3,6-7,9-10,14H,4-5,8,11-12H2,(H,21,22)
InChIKeyLEDLXTSGLLPBAH-UHFFFAOYSA-N
XLogP2.34
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747406
2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19482326
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
1-[(2S,3aR,8aS)-4-(2-methylpyrazole-3-carbonyl)-2-phenyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-1-yl]ethanone
CID 110137405
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
2-(2-phenylpiperidin-1-yl)acetic acid
CID 23201321
phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide
CID 167491595
[6-(2-chlorophenyl)-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone
CID 58211141
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride
CID 119737788
4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 78982970
N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide
CID 136578967

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid (CID 19482706) is 2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1nccc1C(=O)N1CCCCC1c1ccccc1.
What is the InChIKey of 2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid?
The InChIKey is LEDLXTSGLLPBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(22)12-20-15(9-10-18-20)17(23)19-11-5-4-8-14(19)13-6-2-1-3-7-13/h1-3,6-7,9-10,14H,4-5,8,11-12H2,(H,21,22).
What are the key properties of 2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid?
2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid has a molecular weight of 313.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19482706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).