7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H18N6 — CID 136992645

IUPAC7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC1(C2CCCNC2)C=C(N)n2ncc(C#N)c2N1
InChIInChI=1S/C13H18N6/c1-13(10-3-2-4-16-8-10)5-11(15)19-12(18-13)9(6-14)7-17-19/h5,7,10,16,18H,2-4,8,15H2,1H3
InChIKeyLLFHKYSXYFKJOI-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.70
Rot. Bonds1

About 7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 136992645) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID136992645
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC1(C2CCCNC2)C=C(N)n2ncc(C#N)c2N1
InChIInChI=1S/C13H18N6/c1-13(10-3-2-4-16-8-10)5-11(15)19-12(18-13)9(6-14)7-17-19/h5,7,10,16,18H,2-4,8,15H2,1H3
InChIKeyLLFHKYSXYFKJOI-UHFFFAOYSA-N
XLogP0.70
TPSA91.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 136992645) is 7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC1(C2CCCNC2)C=C(N)n2ncc(C#N)c2N1.
What is the InChIKey of 7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is LLFHKYSXYFKJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-13(10-3-2-4-16-8-10)5-11(15)19-12(18-13)9(6-14)7-17-19/h5,7,10,16,18H,2-4,8,15H2,1H3.
What are the key properties of 7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 258.33 g/mol, XLogP of 0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 136992645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).