(3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

C16H20N4O2 — CID 119881082

IUPAC(3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
SMILESCc1cnn(CC2CN(C(=O)c3cccc(N)c3)CCO2)c1
InChIInChI=1S/C16H20N4O2/c1-12-8-18-20(9-12)11-15-10-19(5-6-22-15)16(21)13-3-2-4-14(17)7-13/h2-4,7-9,15H,5-6,10-11,17H2,1H3
InChIKeyGYNVIYGGFQRHQU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.31
Rot. Bonds3

About (3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

(3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone (PubChem CID 119881082) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
PubChem CID119881082
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
SMILESCc1cnn(CC2CN(C(=O)c3cccc(N)c3)CCO2)c1
InChIInChI=1S/C16H20N4O2/c1-12-8-18-20(9-12)11-15-10-19(5-6-22-15)16(21)13-3-2-4-14(17)7-13/h2-4,7-9,15H,5-6,10-11,17H2,1H3
InChIKeyGYNVIYGGFQRHQU-UHFFFAOYSA-N
XLogP1.31
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
CID 119881009
(2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
CID 119947134
(4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
CID 119881097
tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
CID 118023184
(3-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119881469
(3-aminocyclohexyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
CID 119881058
2-methyl-3-(methylamino)-1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-1-one
CID 119881078
N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
CID 126795527
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 136525112
3-[2-(hydroxymethyl)morpholine-4-carbonyl]benzenecarbothioamide
CID 81203400
3-[1-[(4-ethylmorpholin-2-yl)methyl]pyrazol-4-yl]aniline
CID 79164411

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone?
The IUPAC name of (3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone (CID 119881082) is (3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone is Cc1cnn(CC2CN(C(=O)c3cccc(N)c3)CCO2)c1.
What is the InChIKey of (3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone?
The InChIKey is GYNVIYGGFQRHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-8-18-20(9-12)11-15-10-19(5-6-22-15)16(21)13-3-2-4-14(17)7-13/h2-4,7-9,15H,5-6,10-11,17H2,1H3.
What are the key properties of (3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone?
(3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 119881082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).