1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide

C12H18N6O2S — CID 106072011

IUPAC1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide
SMILESCC(C)NCCn1cc(S(=O)(=O)Nc2ncccn2)cn1
InChIInChI=1S/C12H18N6O2S/c1-10(2)13-6-7-18-9-11(8-16-18)21(19,20)17-12-14-4-3-5-15-12/h3-5,8-10,13H,6-7H2,1-2H3,(H,14,15,17)
InChIKeyJSCCLFSMUDLAOV-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.47
Rot. Bonds7

About 1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide

1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide (PubChem CID 106072011) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide
PubChem CID106072011
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide
SMILESCC(C)NCCn1cc(S(=O)(=O)Nc2ncccn2)cn1
InChIInChI=1S/C12H18N6O2S/c1-10(2)13-6-7-18-9-11(8-16-18)21(19,20)17-12-14-4-3-5-15-12/h3-5,8-10,13H,6-7H2,1-2H3,(H,14,15,17)
InChIKeyJSCCLFSMUDLAOV-UHFFFAOYSA-N
XLogP0.47
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(propan-2-ylamino)ethyl]-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 106033533
3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513624
1-[3-(propan-2-ylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031633
N-(1-cyclopropylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide
CID 106065825
N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide
CID 106080694
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
1-[2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylic acid
CID 162751377
1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028775
1-[3-(methylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031715
1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086969
1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106060932
N-(1-cyclobutylethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106084908

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide (CID 106072011) is 1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide is CC(C)NCCn1cc(S(=O)(=O)Nc2ncccn2)cn1.
What is the InChIKey of 1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
The InChIKey is JSCCLFSMUDLAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-10(2)13-6-7-18-9-11(8-16-18)21(19,20)17-12-14-4-3-5-15-12/h3-5,8-10,13H,6-7H2,1-2H3,(H,14,15,17).
What are the key properties of 1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 106072011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).