N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide

C16H19ClN4O2 — CID 84597471

IUPACN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC(O)C2)nn1-c1ccccc1Cl
InChIInChI=1S/C16H19ClN4O2/c1-11-9-15(18-16(23)20-8-4-5-12(22)10-20)19-21(11)14-7-3-2-6-13(14)17/h2-3,6-7,9,12,22H,4-5,8,10H2,1H3,(H,18,19,23)
InChIKeyPQUISQPENHKCKZ-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.82
Rot. Bonds2

About N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide

N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 84597471) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide
PubChem CID84597471
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC(O)C2)nn1-c1ccccc1Cl
InChIInChI=1S/C16H19ClN4O2/c1-11-9-15(18-16(23)20-8-4-5-12(22)10-20)19-21(11)14-7-3-2-6-13(14)17/h2-3,6-7,9,12,22H,4-5,8,10H2,1H3,(H,18,19,23)
InChIKeyPQUISQPENHKCKZ-UHFFFAOYSA-N
XLogP2.82
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-N'-morpholinourea
CID 2743111
N-[5-methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-N'-morpholinourea
CID 2743113
(2R)-N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75447110
1-[1-(2,4-Dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
CID 75447230
(2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75464764
N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide
CID 84597601
N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide
CID 84597801
N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84597850
1-[1-(3-Chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
CID 75483645
rac-(3S,4S)-N-[1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3,4-dihydroxypiperidine-1-carboxamide
CID 118791693
N-[2-(3,4-dichlorophenyl)-4,5-dimethylpyrazol-3-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 126786070
N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide
CID 140574570

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide (CID 84597471) is N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide is Cc1cc(NC(=O)N2CCCC(O)C2)nn1-c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is PQUISQPENHKCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-9-15(18-16(23)20-8-4-5-12(22)10-20)19-21(11)14-7-3-2-6-13(14)17/h2-3,6-7,9,12,22H,4-5,8,10H2,1H3,(H,18,19,23).
What are the key properties of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide?
N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 84597471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).