3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide

C10H19N3O2S — CID 42282361

IUPAC3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide
SMILESCCCNS(=O)(=O)c1cn(C(C)C)nc1C
InChIInChI=1S/C10H19N3O2S/c1-5-6-11-16(14,15)10-7-13(8(2)3)12-9(10)4/h7-8,11H,5-6H2,1-4H3
InChIKeyIMMIOTCWVZDQGE-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.46
Rot. Bonds5

About 3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide

3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide (PubChem CID 42282361) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide
PubChem CID42282361
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide
SMILESCCCNS(=O)(=O)c1cn(C(C)C)nc1C
InChIInChI=1S/C10H19N3O2S/c1-5-6-11-16(14,15)10-7-13(8(2)3)12-9(10)4/h7-8,11H,5-6H2,1-4H3
InChIKeyIMMIOTCWVZDQGE-UHFFFAOYSA-N
XLogP1.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282369
N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283787
3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 42282427
3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine
CID 122169047
3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282457
3-methyl-1-propan-2-yl-N-propylpyrazol-4-amine;hydrochloride
CID 126964438
2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide
CID 167838137
3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283812
N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282469
1,3-dimethyl-N-undecylpyrazole-4-sulfonamide
CID 19681469
1,3-dimethyl-N-octylpyrazole-4-sulfonamide
CID 19681357
N-hexyl-1,3-dimethylpyrazole-4-sulfonamide
CID 19681255

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide (CID 42282361) is 3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide is CCCNS(=O)(=O)c1cn(C(C)C)nc1C.
What is the InChIKey of 3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide?
The InChIKey is IMMIOTCWVZDQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-5-6-11-16(14,15)10-7-13(8(2)3)12-9(10)4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide?
3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).