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

C17H21ClN4O2 — CID 84597850

IUPACN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC(CO)C2)nn1-c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-12-9-16(20-22(12)15-7-3-2-6-14(15)18)19-17(24)21-8-4-5-13(10-21)11-23/h2-3,6-7,9,13,23H,4-5,8,10-11H2,1H3,(H,19,20,24)
InChIKeyYLJBINAFHOHXFP-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.07
Rot. Bonds3

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

N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 84597850) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID84597850
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC(CO)C2)nn1-c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-12-9-16(20-22(12)15-7-3-2-6-14(15)18)19-17(24)21-8-4-5-13(10-21)11-23/h2-3,6-7,9,13,23H,4-5,8,10-11H2,1H3,(H,19,20,24)
InChIKeyYLJBINAFHOHXFP-UHFFFAOYSA-N
XLogP3.07
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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]-3-hydroxypiperidine-1-carboxamide
CID 84597471
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
1-[1-(3-Chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
CID 75483645
(8-syn)-N-[1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-5-yl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 118777792
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-(3-chloro-4-fluorophenyl)-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 149872111
N-(3-chloro-4-fluorophenyl)-2-[(3-hydroxy-2-methylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 153574530

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 84597850) is N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCCC(CO)C2)nn1-c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is YLJBINAFHOHXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-12-9-16(20-22(12)15-7-3-2-6-14(15)18)19-17(24)21-8-4-5-13(10-21)11-23/h2-3,6-7,9,13,23H,4-5,8,10-11H2,1H3,(H,19,20,24).
What are the key properties of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 3.07, 3 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-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 84597850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).