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

C15H17ClN4O2 — CID 84597801

IUPACN-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOCC2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN4O2/c1-11-9-14(17-15(21)19-5-7-22-8-6-19)18-20(11)13-4-2-3-12(16)10-13/h2-4,9-10H,5-8H2,1H3,(H,17,18,21)
InChIKeyYXOHOHYJFJRUBT-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.70
Rot. Bonds2

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

N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide (PubChem CID 84597801) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide
PubChem CID84597801
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC NameN-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOCC2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN4O2/c1-11-9-14(17-15(21)19-5-7-22-8-6-19)18-20(11)13-4-2-3-12(16)10-13/h2-4,9-10H,5-8H2,1H3,(H,17,18,21)
InChIKeyYXOHOHYJFJRUBT-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide (CID 84597801) is N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide is Cc1cc(NC(=O)N2CCOCC2)nn1-c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide?
The InChIKey is YXOHOHYJFJRUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-11-9-14(17-15(21)19-5-7-22-8-6-19)18-20(11)13-4-2-3-12(16)10-13/h2-4,9-10H,5-8H2,1H3,(H,17,18,21).
What are the key properties of N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide?
N-[1-(3-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-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 84597801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).