N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C15H18N4O2 — CID 120943007

IUPACN-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H18N4O2/c20-13-5-2-1-4-12(13)18-14(21)15(6-9-16-10-7-15)19-11-3-8-17-19/h1-5,8,11,16,20H,6-7,9-10H2,(H,18,21)
InChIKeyUQRADWYJOXMPAU-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.31
Rot. Bonds3

About N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120943007) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120943007
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H18N4O2/c20-13-5-2-1-4-12(13)18-14(21)15(6-9-16-10-7-15)19-11-3-8-17-19/h1-5,8,11,16,20H,6-7,9-10H2,(H,18,21)
InChIKeyUQRADWYJOXMPAU-UHFFFAOYSA-N
XLogP1.31
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120916999
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(2-fluoro-5-methylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917788
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936717
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930278
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925026
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120943007) is N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(Nc1ccccc1O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is UQRADWYJOXMPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-13-5-2-1-4-12(13)18-14(21)15(6-9-16-10-7-15)19-11-3-8-17-19/h1-5,8,11,16,20H,6-7,9-10H2,(H,18,21).
What are the key properties of N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120943007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).