N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride

C17H23ClN4O2 — CID 119812800

IUPACN-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)C2COCCN2)n1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-12-9-13(2)21(20-12)16-6-4-3-5-14(16)10-19-17(22)15-11-23-8-7-18-15;/h3-6,9,15,18H,7-8,10-11H2,1-2H3,(H,19,22);1H
InChIKeyGJPHWJDIGMDZCE-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.52
Rot. Bonds4

About N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride

N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119812800) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119812800
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC NameN-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)C2COCCN2)n1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-12-9-13(2)21(20-12)16-6-4-3-5-14(16)10-19-17(22)15-11-23-8-7-18-15;/h3-6,9,15,18H,7-8,10-11H2,1-2H3,(H,19,22);1H
InChIKeyGJPHWJDIGMDZCE-UHFFFAOYSA-N
XLogP1.52
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride (CID 119812800) is N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride is Cc1cc(C)n(-c2ccccc2CNC(=O)C2COCCN2)n1.Cl.
What is the InChIKey of N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is GJPHWJDIGMDZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-12-9-13(2)21(20-12)16-6-4-3-5-14(16)10-19-17(22)15-11-23-8-7-18-15;/h3-6,9,15,18H,7-8,10-11H2,1-2H3,(H,19,22);1H.
What are the key properties of N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119812800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).