3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide

C10H18N4O2S — CID 63954082

IUPAC3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H18N4O2S/c1-3-14(6-8-4-5-8)17(15,16)9-7-13(2)12-10(9)11/h7-8H,3-6H2,1-2H3,(H2,11,12)
InChIKeyXYRNERAZKAKLON-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.42
Rot. Bonds5

About 3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide

3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide (PubChem CID 63954082) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
PubChem CID63954082
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H18N4O2S/c1-3-14(6-8-4-5-8)17(15,16)9-7-13(2)12-10(9)11/h7-8H,3-6H2,1-2H3,(H2,11,12)
InChIKeyXYRNERAZKAKLON-UHFFFAOYSA-N
XLogP0.42
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide (CID 63954082) is 3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide is CCN(CC1CC1)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide?
The InChIKey is XYRNERAZKAKLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-14(6-8-4-5-8)17(15,16)9-7-13(2)12-10(9)11/h7-8H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of 3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide?
3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 63954082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).