N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide

C14H27N3O2S — CID 42283787

IUPACN-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cn(C(C)C)nc1C(C)(C)C
InChIInChI=1S/C14H27N3O2S/c1-7-8-9-15-20(18,19)12-10-17(11(2)3)16-13(12)14(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyCSEGWERJZXXDQG-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.84
Rot. Bonds6

About N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide

N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42283787) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42283787
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC NameN-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cn(C(C)C)nc1C(C)(C)C
InChIInChI=1S/C14H27N3O2S/c1-7-8-9-15-20(18,19)12-10-17(11(2)3)16-13(12)14(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyCSEGWERJZXXDQG-UHFFFAOYSA-N
XLogP2.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283812
3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283810
3-tert-butyl-N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283804
3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide
CID 42282361
N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350218
3-tert-butyl-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283900
N-(2-methoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282369
1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide
CID 42284354
1-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylazepane
CID 42283730
3-tert-butyl-N-(3-methylsulfanylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283972
3-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283933
4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine
CID 42283753

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 42283787) is N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide is CCCCNS(=O)(=O)c1cn(C(C)C)nc1C(C)(C)C.
What is the InChIKey of N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is CSEGWERJZXXDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-7-8-9-15-20(18,19)12-10-17(11(2)3)16-13(12)14(4,5)6/h10-11,15H,7-9H2,1-6H3.
What are the key properties of N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 301.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).