1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide

C19H25N5O2S — CID 29090004

IUPAC1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccn(C)n2)c(C)n1
InChIInChI=1S/C19H25N5O2S/c1-4-23-15-19(16(2)20-23)27(25,26)24(14-18-11-12-22(3)21-18)13-10-17-8-6-5-7-9-17/h5-9,11-12,15H,4,10,13-14H2,1-3H3
InChIKeyCFOJWKNFYDBSIH-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.38
Rot. Bonds8

About 1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide

1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide (PubChem CID 29090004) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide
PubChem CID29090004
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccn(C)n2)c(C)n1
InChIInChI=1S/C19H25N5O2S/c1-4-23-15-19(16(2)20-23)27(25,26)24(14-18-11-12-22(3)21-18)13-10-17-8-6-5-7-9-17/h5-9,11-12,15H,4,10,13-14H2,1-3H3
InChIKeyCFOJWKNFYDBSIH-UHFFFAOYSA-N
XLogP2.38
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide
CID 29096121
1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide
CID 42282856
3-amino-N-benzyl-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 61110904
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 171315030
N,N-dibenzyl-1-ethyl-4-fluoropyrazole-3-sulfonamide
CID 146570707
4-benzylsulfanyl-1-ethyl-3-methylpyrazole;1-ethyl-3-methylpyrazole-4-sulfonyl chloride
CID 167616288
N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide
CID 42282581
1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide
CID 46982024
ethane;1-ethyl-3-methyl-4-methylsulfonylpyrazole
CID 177232884
N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120895703
1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 29089869
1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide
CID 42283017

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide (CID 29090004) is 1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccn(C)n2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The InChIKey is CFOJWKNFYDBSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-4-23-15-19(16(2)20-23)27(25,26)24(14-18-11-12-22(3)21-18)13-10-17-8-6-5-7-9-17/h5-9,11-12,15H,4,10,13-14H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 29090004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).