3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide

C12H24N4O2S — CID 64570397

IUPAC3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)C(C)C)c(N)n1
InChIInChI=1S/C12H24N4O2S/c1-5-6-16-8-11(12(13)15-16)19(17,18)14-7-10(4)9(2)3/h8-10,14H,5-7H2,1-4H3,(H2,13,15)
InChIKeyQFSSLINCBBJMAU-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.45
Rot. Bonds7

About 3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 64570397) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
PubChem CID64570397
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)C(C)C)c(N)n1
InChIInChI=1S/C12H24N4O2S/c1-5-6-16-8-11(12(13)15-16)19(17,18)14-7-10(4)9(2)3/h8-10,14H,5-7H2,1-4H3,(H2,13,15)
InChIKeyQFSSLINCBBJMAU-UHFFFAOYSA-N
XLogP1.45
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide (CID 64570397) is 3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC(C)C(C)C)c(N)n1.
What is the InChIKey of 3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is QFSSLINCBBJMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-5-6-16-8-11(12(13)15-16)19(17,18)14-7-10(4)9(2)3/h8-10,14H,5-7H2,1-4H3,(H2,13,15).
What are the key properties of 3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 64570397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).