N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide

C16H23N5O2S — CID 154737259

IUPACN-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CC2CCCCC2)c2cnccn2)cn1
InChIInChI=1S/C16H23N5O2S/c1-2-20-13-15(10-19-20)24(22,23)21(16-11-17-8-9-18-16)12-14-6-4-3-5-7-14/h8-11,13-14H,2-7,12H2,1H3
InChIKeyNENCCQUQSIWBFH-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.47
Rot. Bonds6

About N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide

N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide (PubChem CID 154737259) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
PubChem CID154737259
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CC2CCCCC2)c2cnccn2)cn1
InChIInChI=1S/C16H23N5O2S/c1-2-20-13-15(10-19-20)24(22,23)21(16-11-17-8-9-18-16)12-14-6-4-3-5-7-14/h8-11,13-14H,2-7,12H2,1H3
InChIKeyNENCCQUQSIWBFH-UHFFFAOYSA-N
XLogP2.47
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-2-ethyl-N-pyrazin-2-ylpyrazole-3-sulfonamide
CID 119052670
N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569513
N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 99607094
2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43613863
1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide
CID 154766940
3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one
CID 114964350
N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 171133561
[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-ethylpyrazol-4-yl)methanone
CID 110138969
4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine
CID 98137739
2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63712750
N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide (CID 154737259) is N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(CC2CCCCC2)c2cnccn2)cn1.
What is the InChIKey of N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The InChIKey is NENCCQUQSIWBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-2-20-13-15(10-19-20)24(22,23)21(16-11-17-8-9-18-16)12-14-6-4-3-5-7-14/h8-11,13-14H,2-7,12H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 154737259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).