3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide

C11H22N4O3S — CID 61240299

IUPAC3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CO)CC(C)C)c(N)n1
InChIInChI=1S/C11H22N4O3S/c1-4-15-6-10(11(12)13-15)19(17,18)14-9(7-16)5-8(2)3/h6,8-9,14,16H,4-5,7H2,1-3H3,(H2,12,13)
InChIKeyPWRFYBVLHTUCQR-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.17
Rot. Bonds7

About 3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide (PubChem CID 61240299) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide
PubChem CID61240299
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CO)CC(C)C)c(N)n1
InChIInChI=1S/C11H22N4O3S/c1-4-15-6-10(11(12)13-15)19(17,18)14-9(7-16)5-8(2)3/h6,8-9,14,16H,4-5,7H2,1-3H3,(H2,12,13)
InChIKeyPWRFYBVLHTUCQR-UHFFFAOYSA-N
XLogP0.17
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 61240297
3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 113494400
3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide
CID 106022099
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 107213382
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide
CID 107843719
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide
CID 106358780
3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
CID 115405368
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide
CID 62064468

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide (CID 61240299) is 3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(CO)CC(C)C)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is PWRFYBVLHTUCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-4-15-6-10(11(12)13-15)19(17,18)14-9(7-16)5-8(2)3/h6,8-9,14,16H,4-5,7H2,1-3H3,(H2,12,13).
What are the key properties of 3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 61240299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).