3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide

C17H22N4O3S — CID 119776547

IUPAC3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESCS(=O)(=O)c1ccccc1-n1cc(NC(=O)C2CCCC(N)C2)cn1
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)16-8-3-2-7-15(16)21-11-14(10-19-21)20-17(22)12-5-4-6-13(18)9-12/h2-3,7-8,10-13H,4-6,9,18H2,1H3,(H,20,22)
InChIKeyIOOZJOLGTULDHU-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.73
Rot. Bonds4

About 3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide

3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide (PubChem CID 119776547) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide
PubChem CID119776547
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESCS(=O)(=O)c1ccccc1-n1cc(NC(=O)C2CCCC(N)C2)cn1
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)16-8-3-2-7-15(16)21-11-14(10-19-21)20-17(22)12-5-4-6-13(18)9-12/h2-3,7-8,10-13H,4-6,9,18H2,1H3,(H,20,22)
InChIKeyIOOZJOLGTULDHU-UHFFFAOYSA-N
XLogP1.73
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 119319470
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CID 119319462
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 56782059
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide
CID 56782351
2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792369
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
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CID 141275060
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
CID 119822944
9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987708
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 167988082
3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119728671

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide (CID 119776547) is 3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide is CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C2CCCC(N)C2)cn1.
What is the InChIKey of 3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
The InChIKey is IOOZJOLGTULDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-25(23,24)16-8-3-2-7-15(16)21-11-14(10-19-21)20-17(22)12-5-4-6-13(18)9-12/h2-3,7-8,10-13H,4-6,9,18H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119776547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).