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

C16H22Cl2N4O2 — CID 119947134

IUPAC(2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
SMILESCc1cnn(CC2CN(C(=O)c3ccccc3N)CCO2)c1.Cl.Cl
InChIInChI=1S/C16H20N4O2.2ClH/c1-12-8-18-20(9-12)11-13-10-19(6-7-22-13)16(21)14-4-2-3-5-15(14)17;;/h2-5,8-9,13H,6-7,10-11,17H2,1H3;2*1H
InChIKeySUGNNWMDCHNMGV-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.16
Rot. Bonds3

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

(2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride (PubChem CID 119947134) has the molecular formula C16H22Cl2N4O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is (2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
PubChem CID119947134
Molecular FormulaC16H22Cl2N4O2
Molecular Weight373.28 g/mol
Exact Mass372.11
IUPAC Name(2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
SMILESCc1cnn(CC2CN(C(=O)c3ccccc3N)CCO2)c1.Cl.Cl
InChIInChI=1S/C16H20N4O2.2ClH/c1-12-8-18-20(9-12)11-13-10-19(6-7-22-13)16(21)14-4-2-3-5-15(14)17;;/h2-5,8-9,13H,6-7,10-11,17H2,1H3;2*1H
InChIKeySUGNNWMDCHNMGV-UHFFFAOYSA-N
XLogP2.16
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.16
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-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
CID 119881082
(4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
CID 119881097
(2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 119945594
(2-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119947144
(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
1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 136525112
4-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide
CID 133443384
N-(3-cyclopentylpropyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
CID 166203151
N-[5-methyl-2-(4-methylpyrazol-1-yl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide
CID 126795527
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
CID 118023184

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride?
The IUPAC name of (2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride (CID 119947134) is (2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for (2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride?
The canonical SMILES for (2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride is Cc1cnn(CC2CN(C(=O)c3ccccc3N)CCO2)c1.Cl.Cl.
What is the InChIKey of (2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride?
The InChIKey is SUGNNWMDCHNMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.2ClH/c1-12-8-18-20(9-12)11-13-10-19(6-7-22-13)16(21)14-4-2-3-5-15(14)17;;/h2-5,8-9,13H,6-7,10-11,17H2,1H3;2*1H.
What are the key properties of (2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride?
(2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride has a molecular weight of 373.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 119947134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).