1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide

C14H23N5O2S — CID 71993047

IUPAC1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ccnn2CC(C)C)c1C
InChIInChI=1S/C14H23N5O2S/c1-6-18-12(5)14(11(4)16-18)22(20,21)17-13-7-8-15-19(13)9-10(2)3/h7-8,10,17H,6,9H2,1-5H3
InChIKeyWOJHSFKAPFKWPM-UHFFFAOYSA-N
MW325.44 g/mol
LogP2.17
Rot. Bonds6

About 1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide (PubChem CID 71993047) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide
PubChem CID71993047
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ccnn2CC(C)C)c1C
InChIInChI=1S/C14H23N5O2S/c1-6-18-12(5)14(11(4)16-18)22(20,21)17-13-7-8-15-19(13)9-10(2)3/h7-8,10,17H,6,9H2,1-5H3
InChIKeyWOJHSFKAPFKWPM-UHFFFAOYSA-N
XLogP2.17
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 71688195
1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 19614444
N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120708800
N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120713898
1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 71974663
N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 100695748
N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 86883306
1-ethyl-3,5-dimethyl-N-(5-methylpyrazin-2-yl)pyrazole-4-sulfonamide
CID 146141237
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 84600429
1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
CID 75519495
N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51699026
N-(2-ethylpyrazol-3-yl)benzenesulfonamide
CID 3280271

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide (CID 71993047) is 1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2ccnn2CC(C)C)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide?
The InChIKey is WOJHSFKAPFKWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-6-18-12(5)14(11(4)16-18)22(20,21)17-13-7-8-15-19(13)9-10(2)3/h7-8,10,17H,6,9H2,1-5H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide has a molecular weight of 325.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71993047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).