[1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone

C15H16N4O4 — CID 42762350

IUPAC[1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCn1nc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C15H16N4O4/c1-17-14(15(20)18-6-8-23-9-7-18)10-13(16-17)11-2-4-12(5-3-11)19(21)22/h2-5,10H,6-9H2,1H3
InChIKeyZKHMORHDUISZFX-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.47
Rot. Bonds3

About [1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone

[1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 42762350) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is [1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
PubChem CID42762350
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name[1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCn1nc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C15H16N4O4/c1-17-14(15(20)18-6-8-23-9-7-18)10-13(16-17)11-2-4-12(5-3-11)19(21)22/h2-5,10H,6-9H2,1H3
InChIKeyZKHMORHDUISZFX-UHFFFAOYSA-N
XLogP1.47
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one
CID 7665412
N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 771732
[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 166374697
[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759712
[3-(3,4-dimethylphenyl)-1-(4-nitrophenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 5030798
(1-methyl-3-phenylpyrazol-5-yl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344425
(2-chloro-5-nitrophenyl)-morpholin-4-ylmethanone
CID 736596
(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 46079190
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3434426
[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-morpholin-4-ylmethanone
CID 2920059
[1-(2-chlorophenyl)-3-(4-nitrophenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1053670
(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 164688171

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone (CID 42762350) is [1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone is Cn1nc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCOCC1.
What is the InChIKey of [1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is ZKHMORHDUISZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-17-14(15(20)18-6-8-23-9-7-18)10-13(16-17)11-2-4-12(5-3-11)19(21)22/h2-5,10H,6-9H2,1H3.
What are the key properties of [1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
[1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 316.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42762350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).