N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide

C13H22N4O2S — CID 71997776

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2CCN(C3CC3)C2)cn1
InChIInChI=1S/C13H22N4O2S/c1-2-17-10-13(8-14-17)20(18,19)15-7-11-5-6-16(9-11)12-3-4-12/h8,10-12,15H,2-7,9H2,1H3
InChIKeyYVOHLCMAENZAMU-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.67
Rot. Bonds6

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 71997776) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID71997776
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2CCN(C3CC3)C2)cn1
InChIInChI=1S/C13H22N4O2S/c1-2-17-10-13(8-14-17)20(18,19)15-7-11-5-6-16(9-11)12-3-4-12/h8,10-12,15H,2-7,9H2,1H3
InChIKeyYVOHLCMAENZAMU-UHFFFAOYSA-N
XLogP0.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide (CID 71997776) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC2CCN(C3CC3)C2)cn1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is YVOHLCMAENZAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-2-17-10-13(8-14-17)20(18,19)15-7-11-5-6-16(9-11)12-3-4-12/h8,10-12,15H,2-7,9H2,1H3.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71997776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).