3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide

C14H27N3O2S — CID 42283422

IUPAC3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H27N3O2S/c1-7-9-17(10-8-2)20(18,19)12-11-16(6)15-13(12)14(3,4)5/h11H,7-10H2,1-6H3
InChIKeyMGEMJKZZXBZYGA-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.53
Rot. Bonds6

About 3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide

3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide (PubChem CID 42283422) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide
PubChem CID42283422
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H27N3O2S/c1-7-9-17(10-8-2)20(18,19)12-11-16(6)15-13(12)14(3,4)5/h11H,7-10H2,1-6H3
InChIKeyMGEMJKZZXBZYGA-UHFFFAOYSA-N
XLogP2.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283498
3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 42283584
1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide
CID 42284277
3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 60810084
1-(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylazepane
CID 42283445
3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 63954082
3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 61139761
3-amino-1-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106434
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103887705
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid
CID 83089783
N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 79387609

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide (CID 42283422) is 3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide is CCCN(CCC)S(=O)(=O)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide?
The InChIKey is MGEMJKZZXBZYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-7-9-17(10-8-2)20(18,19)12-11-16(6)15-13(12)14(3,4)5/h11H,7-10H2,1-6H3.
What are the key properties of 3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide?
3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide has a molecular weight of 301.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).