N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide

C15H17ClN4O2 — CID 84597601

IUPACN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOCC2)nn1-c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O2/c1-11-10-14(17-15(21)19-6-8-22-9-7-19)18-20(11)13-5-3-2-4-12(13)16/h2-5,10H,6-9H2,1H3,(H,17,18,21)
InChIKeyYWMLBUMXBFKBAN-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.70
Rot. Bonds2

About N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide

N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide (PubChem CID 84597601) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide
PubChem CID84597601
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC NameN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOCC2)nn1-c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O2/c1-11-10-14(17-15(21)19-6-8-22-9-7-19)18-20(11)13-5-3-2-4-12(13)16/h2-5,10H,6-9H2,1H3,(H,17,18,21)
InChIKeyYWMLBUMXBFKBAN-UHFFFAOYSA-N
XLogP2.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(tert-butyl)-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-N'-morpholinourea
CID 2743140
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
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-morpholinoacetamide
CID 2816322
1-[3-(5-Amino-1-phenylpyrazol-3-yl)propyl]-3-(1-methoxypropan-2-yl)urea
CID 53505094
(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-(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
N-(2-chlorophenyl)-N'-[1-(1-propionylpiperidin-4-yl)-1H-pyrazol-5-yl]urea
CID 56747961

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide (CID 84597601) is N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide is Cc1cc(NC(=O)N2CCOCC2)nn1-c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide?
The InChIKey is YWMLBUMXBFKBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-11-10-14(17-15(21)19-6-8-22-9-7-19)18-20(11)13-5-3-2-4-12(13)16/h2-5,10H,6-9H2,1H3,(H,17,18,21).
What are the key properties of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide?
N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 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]morpholine-4-carboxamide is sourced from PubChem (CID 84597601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).