3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide

C12H17N5O2S — CID 103305825

IUPAC3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C12H17N5O2S/c1-9(2)17-8-10(7-15-17)16-20(18,19)12-11(13-3)5-4-6-14-12/h4-9,13,16H,1-3H3
InChIKeyUBZWQVDPXSGFJY-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.70
Rot. Bonds5

About 3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide

3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide (PubChem CID 103305825) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide
PubChem CID103305825
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C12H17N5O2S/c1-9(2)17-8-10(7-15-17)16-20(18,19)12-11(13-3)5-4-6-14-12/h4-9,13,16H,1-3H3
InChIKeyUBZWQVDPXSGFJY-UHFFFAOYSA-N
XLogP1.70
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydrazinyl-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-sulfonamide
CID 62904457
3-(methylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303450
N-(3,5-dimethylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304016
6-amino-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-sulfonamide
CID 62903961
N-(4-methoxyphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303586
N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103306326
2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62903564
N-(2-cyanophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303910
N-(3-fluoro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304040
3-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-sulfonamide
CID 103303080
N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 107616509
N-(4,6-dimethylpyrimidin-2-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303013

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide?
The IUPAC name of 3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide (CID 103305825) is 3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide?
The canonical SMILES for 3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide?
The InChIKey is UBZWQVDPXSGFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-9(2)17-8-10(7-15-17)16-20(18,19)12-11(13-3)5-4-6-14-12/h4-9,13,16H,1-3H3.
What are the key properties of 3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide?
3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 103305825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).