2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

C17H22N4O4 — CID 146143233

IUPAC2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCOc1ccc(C2CN(C(=O)Nc3cnn(C)c3)CCO2)cc1OC
InChIInChI=1S/C17H22N4O4/c1-20-10-13(9-18-20)19-17(22)21-6-7-25-16(11-21)12-4-5-14(23-2)15(8-12)24-3/h4-5,8-10,16H,6-7,11H2,1-3H3,(H,19,22)
InChIKeyGVSQYMISRPKCSZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.04
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 146143233) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID146143233
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCOc1ccc(C2CN(C(=O)Nc3cnn(C)c3)CCO2)cc1OC
InChIInChI=1S/C17H22N4O4/c1-20-10-13(9-18-20)19-17(22)21-6-7-25-16(11-21)12-4-5-14(23-2)15(8-12)24-3/h4-5,8-10,16H,6-7,11H2,1-3H3,(H,19,22)
InChIKeyGVSQYMISRPKCSZ-UHFFFAOYSA-N
XLogP2.04
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 95134155
2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)morpholine-4-carboxamide
CID 87034963
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
N-(2-methoxy-5-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526391
2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride
CID 139815958
N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide
CID 110327203
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide
CID 154738776
(2S)-2-(3-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 52516717
(3S)-N-(4-methoxy-3-methylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97003801
N-(4-methoxy-3-methylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71865837
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (CID 146143233) is 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is COc1ccc(C2CN(C(=O)Nc3cnn(C)c3)CCO2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is GVSQYMISRPKCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-20-10-13(9-18-20)19-17(22)21-6-7-25-16(11-21)12-4-5-14(23-2)15(8-12)24-3/h4-5,8-10,16H,6-7,11H2,1-3H3,(H,19,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 146143233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).