3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide

C9H16N4O2S — CID 60807969

IUPAC3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H16N4O2S/c1-3-13(7-4-5-7)16(14,15)8-6-12(2)11-9(8)10/h6-7H,3-5H2,1-2H3,(H2,10,11)
InChIKeyDCDGZNSRUHLBLD-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.18
Rot. Bonds4

About 3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide

3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide (PubChem CID 60807969) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide
PubChem CID60807969
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H16N4O2S/c1-3-13(7-4-5-7)16(14,15)8-6-12(2)11-9(8)10/h6-7H,3-5H2,1-2H3,(H2,10,11)
InChIKeyDCDGZNSRUHLBLD-UHFFFAOYSA-N
XLogP0.18
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide
CID 54922474
3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide
CID 61106043
3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 63954082
3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide
CID 54922418
3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide
CID 60808304
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide
CID 62976625
3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 60810084
3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 60814194
4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
CID 83217894
3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79850425
4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
CID 61219951
3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 61113632

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide (CID 60807969) is 3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide is CCN(C1CC1)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide?
The InChIKey is DCDGZNSRUHLBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-3-13(7-4-5-7)16(14,15)8-6-12(2)11-9(8)10/h6-7H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide?
3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 60807969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).