5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile

C13H16N6S — CID 102796819

IUPAC5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
SMILESCC1CCN(c2nn(-c3nccs3)c(N)c2C#N)CC1
InChIInChI=1S/C13H16N6S/c1-9-2-5-18(6-3-9)12-10(8-14)11(15)19(17-12)13-16-4-7-20-13/h4,7,9H,2-3,5-6,15H2,1H3
InChIKeyIWEDOPXBMFJMEF-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.02
Rot. Bonds2

About 5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile

5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile (PubChem CID 102796819) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
PubChem CID102796819
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
SMILESCC1CCN(c2nn(-c3nccs3)c(N)c2C#N)CC1
InChIInChI=1S/C13H16N6S/c1-9-2-5-18(6-3-9)12-10(8-14)11(15)19(17-12)13-16-4-7-20-13/h4,7,9H,2-3,5-6,15H2,1H3
InChIKeyIWEDOPXBMFJMEF-UHFFFAOYSA-N
XLogP2.02
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile 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

5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 102809221
5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile
CID 102796348
5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile
CID 102795272
5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102796825
4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide
CID 116647294
5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 113390701
5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile
CID 102809182
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(4-bromophenyl)pyrazole-4-carbonitrile
CID 102796328
5-amino-1-(4-fluorophenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795536
5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 102795684
4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323791
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile (CID 102796819) is 5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile is CC1CCN(c2nn(-c3nccs3)c(N)c2C#N)CC1.
What is the InChIKey of 5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The InChIKey is IWEDOPXBMFJMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S/c1-9-2-5-18(6-3-9)12-10(8-14)11(15)19(17-12)13-16-4-7-20-13/h4,7,9H,2-3,5-6,15H2,1H3.
What are the key properties of 5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile has a molecular weight of 288.38 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102796819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).