5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile

C13H22N6 — CID 102795684

IUPAC5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile
SMILESCC(C)Cn1nc(N2CCC(N)CC2)c(C#N)c1N
InChIInChI=1S/C13H22N6/c1-9(2)8-19-12(16)11(7-14)13(17-19)18-5-3-10(15)4-6-18/h9-10H,3-6,8,15-16H2,1-2H3
InChIKeyRPNJUMRDMRGLRY-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.92
Rot. Bonds3

About 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile

5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile (PubChem CID 102795684) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile
PubChem CID102795684
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile
SMILESCC(C)Cn1nc(N2CCC(N)CC2)c(C#N)c1N
InChIInChI=1S/C13H22N6/c1-9(2)8-19-12(16)11(7-14)13(17-19)18-5-3-10(15)4-6-18/h9-10H,3-6,8,15-16H2,1-2H3
InChIKeyRPNJUMRDMRGLRY-UHFFFAOYSA-N
XLogP0.92
TPSA96.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 102795311
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796652
5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile
CID 102796348
5-amino-3-(1,4-diazepan-1-yl)-1-(3-methylbutyl)pyrazole-4-carbonitrile
CID 102796236
2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid
CID 102796625
5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102796158
5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile
CID 102795329
5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile
CID 102795336
1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid
CID 102795988
5-amino-1-(2-ethylsulfonylethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile
CID 102796697
5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795490
methyl 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate
CID 102808461

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile (CID 102795684) is 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile is CC(C)Cn1nc(N2CCC(N)CC2)c(C#N)c1N.
What is the InChIKey of 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile?
The InChIKey is RPNJUMRDMRGLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-9(2)8-19-12(16)11(7-14)13(17-19)18-5-3-10(15)4-6-18/h9-10H,3-6,8,15-16H2,1-2H3.
What are the key properties of 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile?
5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile has a molecular weight of 262.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).