1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea

C10H19N5O3S — CID 116646497

IUPAC1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea
SMILESCCn1cc(S(=O)(=O)NC(=O)NC(C)(C)C)c(N)n1
InChIInChI=1S/C10H19N5O3S/c1-5-15-6-7(8(11)13-15)19(17,18)14-9(16)12-10(2,3)4/h6H,5H2,1-4H3,(H2,11,13)(H2,12,14,16)
InChIKeyXVNMPDXURZQKRG-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.27
Rot. Bonds3

About 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea

1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea (PubChem CID 116646497) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea.

Molecular Properties

Compound Name1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea
PubChem CID116646497
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea
SMILESCCn1cc(S(=O)(=O)NC(=O)NC(C)(C)C)c(N)n1
InChIInChI=1S/C10H19N5O3S/c1-5-15-6-7(8(11)13-15)19(17,18)14-9(16)12-10(2,3)4/h6H,5H2,1-4H3,(H2,11,13)(H2,12,14,16)
InChIKeyXVNMPDXURZQKRG-UHFFFAOYSA-N
XLogP0.27
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-1-methyl-1H-pyrazole-4-sulfonyl fluoride
CID 138040656
3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006939
3-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006940
3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892701
3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892892
3-amino-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61105521
3-amino-1-ethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61105522
3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106242
3-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106243
3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106433
3-amino-1-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106434
3-amino-N,1-dipropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106435

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea?
The IUPAC name of 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea (CID 116646497) is 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea.
What is the SMILES notation for 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea?
The canonical SMILES for 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea is CCn1cc(S(=O)(=O)NC(=O)NC(C)(C)C)c(N)n1.
What is the InChIKey of 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea?
The InChIKey is XVNMPDXURZQKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-5-15-6-7(8(11)13-15)19(17,18)14-9(16)12-10(2,3)4/h6H,5H2,1-4H3,(H2,11,13)(H2,12,14,16).
What are the key properties of 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea?
1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea has a molecular weight of 289.36 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea is sourced from PubChem (CID 116646497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).