1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide

C18H26N4O3S — CID 19614785

IUPAC1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)c(C)n1
InChIInChI=1S/C18H26N4O3S/c1-3-22-14-18(15(2)20-22)26(23,24)19-13-17(16-7-5-4-6-8-16)21-9-11-25-12-10-21/h4-8,14,17,19H,3,9-13H2,1-2H3
InChIKeyASUUFLJZVAZMGG-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.56
Rot. Bonds7

About 1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide

1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide (PubChem CID 19614785) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide
PubChem CID19614785
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)c(C)n1
InChIInChI=1S/C18H26N4O3S/c1-3-22-14-18(15(2)20-22)26(23,24)19-13-17(16-7-5-4-6-8-16)21-9-11-25-12-10-21/h4-8,14,17,19H,3,9-13H2,1-2H3
InChIKeyASUUFLJZVAZMGG-UHFFFAOYSA-N
XLogP1.56
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide
CID 56836673
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
trans-(1R,2S)-N-[[4-methoxy-1-(1-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 127030986
4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline
CID 90656820
US9156811, Ddd86314
CID 58561266
1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 2813507
N-[2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 16674161
1-(1-Benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
CID 51099645
1-ethyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-1H-pyrazole-4-sulfonamide
CID 56912861
1-methyl-N-(4-(2-morpholino-2-oxoethyl)phenyl)-1H-pyrazole-4-sulfonamide
CID 71806633
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71895738
4-{[5-(Benzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]methyl}morpholine
CID 124079174

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide (CID 19614785) is 1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(c2ccccc2)N2CCOCC2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide?
The InChIKey is ASUUFLJZVAZMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-3-22-14-18(15(2)20-22)26(23,24)19-13-17(16-7-5-4-6-8-16)21-9-11-25-12-10-21/h4-8,14,17,19H,3,9-13H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19614785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).