1-tert-butyl-3-propylpyrazole-5-sulfonamide

C10H19N3O2S — CID 62408137

IUPAC1-tert-butyl-3-propylpyrazole-5-sulfonamide
SMILESCCCc1cc(S(N)(=O)=O)n(C(C)(C)C)n1
InChIInChI=1S/C10H19N3O2S/c1-5-6-8-7-9(16(11,14)15)13(12-8)10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,14,15)
InChIKeyMPSNIQYJLZXLMJ-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.24
Rot. Bonds3

About 1-tert-butyl-3-propylpyrazole-5-sulfonamide

1-tert-butyl-3-propylpyrazole-5-sulfonamide (PubChem CID 62408137) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-tert-butyl-3-propylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name1-tert-butyl-3-propylpyrazole-5-sulfonamide
PubChem CID62408137
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-tert-butyl-3-propylpyrazole-5-sulfonamide
SMILESCCCc1cc(S(N)(=O)=O)n(C(C)(C)C)n1
InChIInChI=1S/C10H19N3O2S/c1-5-6-8-7-9(16(11,14)15)13(12-8)10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,14,15)
InChIKeyMPSNIQYJLZXLMJ-UHFFFAOYSA-N
XLogP1.24
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-propylpyrazole-5-sulfonyl chloride
CID 62409850
3-ethyl-1-pentan-3-ylpyrazole-5-sulfonamide
CID 62410448
1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine
CID 105481328
3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide
CID 62407958
1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride
CID 55210622
1-butyl-3-propan-2-ylpyrazole-5-sulfonamide
CID 62410069
1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine
CID 82089365
(1-methyl-3-propylpyrazol-5-yl)urea
CID 130778456
1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494
1-methyl-4-propylimidazole
CID 20703275
3-(1-methyl-5-propylpyrazol-3-yl)propan-1-amine
CID 105439768
2-(1-tert-butyl-3-ethylpyrazol-5-yl)sulfanylacetic acid
CID 62408168

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-propylpyrazole-5-sulfonamide?
The IUPAC name of 1-tert-butyl-3-propylpyrazole-5-sulfonamide (CID 62408137) is 1-tert-butyl-3-propylpyrazole-5-sulfonamide.
What is the SMILES notation for 1-tert-butyl-3-propylpyrazole-5-sulfonamide?
The canonical SMILES for 1-tert-butyl-3-propylpyrazole-5-sulfonamide is CCCc1cc(S(N)(=O)=O)n(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3-propylpyrazole-5-sulfonamide?
The InChIKey is MPSNIQYJLZXLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-5-6-8-7-9(16(11,14)15)13(12-8)10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,14,15).
What are the key properties of 1-tert-butyl-3-propylpyrazole-5-sulfonamide?
1-tert-butyl-3-propylpyrazole-5-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-propylpyrazole-5-sulfonamide is sourced from PubChem (CID 62408137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).