2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride

C17H23ClN4O4S — CID 120792369

IUPAC2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(N)C2CCOCC2)cn1.Cl
InChIInChI=1S/C17H22N4O4S.ClH/c1-26(23,24)15-5-3-2-4-14(15)21-11-13(10-19-21)20-17(22)16(18)12-6-8-25-9-7-12;/h2-5,10-12,16H,6-9,18H2,1H3,(H,20,22);1H
InChIKeyDRXSLXQFDMUDNW-UHFFFAOYSA-N
MW414.92 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120792369) has the molecular formula C17H23ClN4O4S and a molecular weight of 414.92 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120792369
Molecular FormulaC17H23ClN4O4S
Molecular Weight414.92 g/mol
Exact Mass414.11
IUPAC Name2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(N)C2CCOCC2)cn1.Cl
InChIInChI=1S/C17H22N4O4S.ClH/c1-26(23,24)15-5-3-2-4-14(15)21-11-13(10-19-21)20-17(22)16(18)12-6-8-25-9-7-12;/h2-5,10-12,16H,6-9,18H2,1H3,(H,20,22);1H
InChIKeyDRXSLXQFDMUDNW-UHFFFAOYSA-N
XLogP1.39
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 120790126
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide
CID 56782351
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 56782059
3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119776547
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119319470
2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120793438
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 167988082
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119319462
2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 120799505
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796053

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120792369) is 2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride is CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(N)C2CCOCC2)cn1.Cl.
What is the InChIKey of 2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is DRXSLXQFDMUDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S.ClH/c1-26(23,24)15-5-3-2-4-14(15)21-11-13(10-19-21)20-17(22)16(18)12-6-8-25-9-7-12;/h2-5,10-12,16H,6-9,18H2,1H3,(H,20,22);1H.
What are the key properties of 2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 414.92 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120792369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).