1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide

C20H27N3O3S — CID 134695580

IUPAC1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCCCn1nccc1NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1
InChIInChI=1S/C20H27N3O3S/c1-3-15-23-18(11-14-21-23)22-19(24)20(12-5-4-6-13-20)16-7-9-17(10-8-16)27(2,25)26/h7-11,14H,3-6,12-13,15H2,1-2H3,(H,22,24)
InChIKeyNXKVWHIUDMSGHK-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.54
Rot. Bonds6

About 1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide

1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide (PubChem CID 134695580) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide
PubChem CID134695580
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCCCn1nccc1NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1
InChIInChI=1S/C20H27N3O3S/c1-3-15-23-18(11-14-21-23)22-19(24)20(12-5-4-6-13-20)16-7-9-17(10-8-16)27(2,25)26/h7-11,14H,3-6,12-13,15H2,1-2H3,(H,22,24)
InChIKeyNXKVWHIUDMSGHK-UHFFFAOYSA-N
XLogP3.54
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121496267
1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 118761633
N-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121498243
N-(2-methylpyrazol-3-yl)-1-phenylcyclobutane-1-carboxamide
CID 110473533
N-(1-imidazol-1-ylbutan-2-yl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 131931140
2-[[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]amino]acetic acid
CID 122557896
1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide
CID 91768534
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 118770787
N-(2-propylpyrazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 127447830
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide
CID 111461985
2-[2-hydroxyethyl(methyl)amino]-N-(2-propylpyrazol-3-yl)acetamide
CID 111123044
1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea
CID 125167669

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide (CID 134695580) is 1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide is CCCn1nccc1NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is NXKVWHIUDMSGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-3-15-23-18(11-14-21-23)22-19(24)20(12-5-4-6-13-20)16-7-9-17(10-8-16)27(2,25)26/h7-11,14H,3-6,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of 1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide?
1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-N-(2-propylpyrazol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 134695580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).