(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride

C15H20Cl2N4O2 — CID 119881009

IUPAC(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)N2CCOC(Cn3cccn3)C2)c1
InChIInChI=1S/C15H18N4O2.2ClH/c16-13-4-1-3-12(9-13)15(20)18-7-8-21-14(10-18)11-19-6-2-5-17-19;;/h1-6,9,14H,7-8,10-11,16H2;2*1H
InChIKeyRJEXSGFRKPOIIX-UHFFFAOYSA-N
MW359.26 g/mol
LogP1.85
Rot. Bonds3

About (3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride

(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride (PubChem CID 119881009) has the molecular formula C15H20Cl2N4O2 and a molecular weight of 359.26 g/mol. Its IUPAC name is (3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
PubChem CID119881009
Molecular FormulaC15H20Cl2N4O2
Molecular Weight359.26 g/mol
Exact Mass358.10
IUPAC Name(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)N2CCOC(Cn3cccn3)C2)c1
InChIInChI=1S/C15H18N4O2.2ClH/c16-13-4-1-3-12(9-13)15(20)18-7-8-21-14(10-18)11-19-6-2-5-17-19;;/h1-6,9,14H,7-8,10-11,16H2;2*1H
InChIKeyRJEXSGFRKPOIIX-UHFFFAOYSA-N
XLogP1.85
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 51.85
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
3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
CID 95299116
(2R)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 119880996
4-fluoro-3-[2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carbonyl]benzenesulfonamide
CID 72838567
4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021186
[(2R)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97134757
(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119881008
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 126446370
2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124705020
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119881027
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119881013

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride?
The IUPAC name of (3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride (CID 119881009) is (3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride?
The canonical SMILES for (3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride is Cl.Cl.Nc1cccc(C(=O)N2CCOC(Cn3cccn3)C2)c1.
What is the InChIKey of (3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride?
The InChIKey is RJEXSGFRKPOIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.2ClH/c16-13-4-1-3-12(9-13)15(20)18-7-8-21-14(10-18)11-19-6-2-5-17-19;;/h1-6,9,14H,7-8,10-11,16H2;2*1H.
What are the key properties of (3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride?
(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride has a molecular weight of 359.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 119881009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).