5-amino-N-methyl-1-propylpyrazole-4-sulfonamide

C7H14N4O2S — CID 82459873

IUPAC5-amino-N-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1ncc(S(=O)(=O)NC)c1N
InChIInChI=1S/C7H14N4O2S/c1-3-4-11-7(8)6(5-10-11)14(12,13)9-2/h5,9H,3-4,8H2,1-2H3
InChIKeyCBVDSLUXIRZDHP-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.22
Rot. Bonds4

About 5-amino-N-methyl-1-propylpyrazole-4-sulfonamide

5-amino-N-methyl-1-propylpyrazole-4-sulfonamide (PubChem CID 82459873) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-amino-N-methyl-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-1-propylpyrazole-4-sulfonamide
PubChem CID82459873
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name5-amino-N-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1ncc(S(=O)(=O)NC)c1N
InChIInChI=1S/C7H14N4O2S/c1-3-4-11-7(8)6(5-10-11)14(12,13)9-2/h5,9H,3-4,8H2,1-2H3
InChIKeyCBVDSLUXIRZDHP-UHFFFAOYSA-N
XLogP-0.22
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-butyl-1-propylpyrazole-4-sulfonamide
CID 82459881
5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide
CID 82459893
5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide
CID 82459894
5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 82459830
4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine
CID 160635766
4-amino-N-methyl-1-propylpyrazole-5-carboxamide
CID 132586626
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 106337789
4-amino-N,1-dimethylpyrazole-5-sulfonamide
CID 122673408
5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide
CID 82459937
5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 82459973
5-amino-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-sulfonamide
CID 82459771
4,5-ditert-butyl-2-propylpyridazin-3-one
CID 23552383

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-methyl-1-propylpyrazole-4-sulfonamide (CID 82459873) is 5-amino-N-methyl-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-methyl-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-methyl-1-propylpyrazole-4-sulfonamide is CCCn1ncc(S(=O)(=O)NC)c1N.
What is the InChIKey of 5-amino-N-methyl-1-propylpyrazole-4-sulfonamide?
The InChIKey is CBVDSLUXIRZDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-3-4-11-7(8)6(5-10-11)14(12,13)9-2/h5,9H,3-4,8H2,1-2H3.
What are the key properties of 5-amino-N-methyl-1-propylpyrazole-4-sulfonamide?
5-amino-N-methyl-1-propylpyrazole-4-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 82459873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).