2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H22N4 — CID 135774024

IUPAC2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCCC1CC(CCC)n2nc(C)c(C#N)c2N1
InChIInChI=1S/C14H22N4/c1-4-6-11-8-12(7-5-2)18-14(16-11)13(9-15)10(3)17-18/h11-12,16H,4-8H2,1-3H3
InChIKeyHBBDYBGRGJFMAM-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.39
Rot. Bonds4

About 2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 135774024) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID135774024
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCCC1CC(CCC)n2nc(C)c(C#N)c2N1
InChIInChI=1S/C14H22N4/c1-4-6-11-8-12(7-5-2)18-14(16-11)13(9-15)10(3)17-18/h11-12,16H,4-8H2,1-3H3
InChIKeyHBBDYBGRGJFMAM-UHFFFAOYSA-N
XLogP3.39
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 135774024) is 2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCCC1CC(CCC)n2nc(C)c(C#N)c2N1.
What is the InChIKey of 2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is HBBDYBGRGJFMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-6-11-8-12(7-5-2)18-14(16-11)13(9-15)10(3)17-18/h11-12,16H,4-8H2,1-3H3.
What are the key properties of 2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,7-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 135774024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).