1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide

C10H13N5O2S — CID 114138925

IUPAC1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)Nc2cccnc2)cn1
InChIInChI=1S/C10H13N5O2S/c11-3-5-15-8-10(7-13-15)18(16,17)14-9-2-1-4-12-6-9/h1-2,4,6-8,14H,3,5,11H2
InChIKeyYADSYGKQXXQOBA-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.04
Rot. Bonds5

About 1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide

1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide (PubChem CID 114138925) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
PubChem CID114138925
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)Nc2cccnc2)cn1
InChIInChI=1S/C10H13N5O2S/c11-3-5-15-8-10(7-13-15)18(16,17)14-9-2-1-4-12-6-9/h1-2,4,6-8,14H,3,5,11H2
InChIKeyYADSYGKQXXQOBA-UHFFFAOYSA-N
XLogP0.04
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(propan-2-ylamino)ethyl]-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 106033533
1-(2-aminoethyl)-N-(3-chlorophenyl)pyrazole-4-sulfonamide
CID 106060399
1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide
CID 106060565
1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087966
1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide
CID 106061816
1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide
CID 106059548
1-(2-aminoethyl)-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086842
1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide
CID 106003518
4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033132
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(2-aminoethyl)-N-(3-bromo-2-methylphenyl)pyrazole-4-sulfonamide
CID 106088124
1-(2-aminoethyl)-N-(2-bromo-3-methylphenyl)pyrazole-4-sulfonamide
CID 106073844

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide (CID 114138925) is 1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide is NCCn1cc(S(=O)(=O)Nc2cccnc2)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide?
The InChIKey is YADSYGKQXXQOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c11-3-5-15-8-10(7-13-15)18(16,17)14-9-2-1-4-12-6-9/h1-2,4,6-8,14H,3,5,11H2.
What are the key properties of 1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 114138925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).