[1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone

C15H18N4O2 — CID 43475528

IUPAC[1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1ccccc1-n1ccc(C(=O)N2CCC(O)CC2)n1
InChIInChI=1S/C15H18N4O2/c16-12-3-1-2-4-14(12)19-10-7-13(17-19)15(21)18-8-5-11(20)6-9-18/h1-4,7,10-11,20H,5-6,8-9,16H2
InChIKeyUTQMTNOMXQEOBZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.05
Rot. Bonds2

About [1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone

[1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43475528) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43475528
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1ccccc1-n1ccc(C(=O)N2CCC(O)CC2)n1
InChIInChI=1S/C15H18N4O2/c16-12-3-1-2-4-14(12)19-10-7-13(17-19)15(21)18-8-5-11(20)6-9-18/h1-4,7,10-11,20H,5-6,8-9,16H2
InChIKeyUTQMTNOMXQEOBZ-UHFFFAOYSA-N
XLogP1.05
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124574217
[1-(2-aminophenyl)pyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210007
cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate
CID 62383835
[1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone
CID 43541582
[1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
CID 126770991
[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 119400311
1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide
CID 82733530
1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide
CID 43475571
1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
CID 43475556
1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide
CID 63360121
benzyl 1-(2-aminophenyl)pyrazole-3-carboxylate
CID 61308676

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 43475528) is [1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone is Nc1ccccc1-n1ccc(C(=O)N2CCC(O)CC2)n1.
What is the InChIKey of [1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is UTQMTNOMXQEOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-12-3-1-2-4-14(12)19-10-7-13(17-19)15(21)18-8-5-11(20)6-9-18/h1-4,7,10-11,20H,5-6,8-9,16H2.
What are the key properties of [1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone?
[1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43475528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).