3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile

C10H17N5O2S — CID 102825730

IUPAC3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile
SMILESCCCNc1nn(CCC#N)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H17N5O2S/c1-3-6-13-10-8(18(2,16)17)9(12)15(14-10)7-4-5-11/h3-4,6-7,12H2,1-2H3,(H,13,14)
InChIKeyDIFZKGLPSYZYTP-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.60
Rot. Bonds6

About 3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile

3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile (PubChem CID 102825730) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile
PubChem CID102825730
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile
SMILESCCCNc1nn(CCC#N)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H17N5O2S/c1-3-6-13-10-8(18(2,16)17)9(12)15(14-10)7-4-5-11/h3-4,6-7,12H2,1-2H3,(H,13,14)
InChIKeyDIFZKGLPSYZYTP-UHFFFAOYSA-N
XLogP0.60
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile 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

3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile
CID 102825706
1-butyl-3-N-(2-methylpropyl)-4-methylsulfonylpyrazole-3,5-diamine
CID 102826037
5-amino-1-propyl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796033
5-amino-3-(butylamino)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796672
1-(4-chlorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
CID 102825456
5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795333
1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
CID 102825547
5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795727
1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826188
1-(5-bromo-2-pyridinyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
CID 102826367
1-[(4-chlorophenyl)methyl]-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826260
1-[(3-chlorophenyl)methyl]-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826264

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile (CID 102825730) is 3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile is CCCNc1nn(CCC#N)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile?
The InChIKey is DIFZKGLPSYZYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-3-6-13-10-8(18(2,16)17)9(12)15(14-10)7-4-5-11/h3-4,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of 3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile?
3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile has a molecular weight of 271.35 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 102825730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).