[2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine

C14H24N4 — CID 137012013

IUPAC[2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine
SMILESNCC1CCNc2cc(CC3CCCCC3)nn21
InChIInChI=1S/C14H24N4/c15-10-13-6-7-16-14-9-12(17-18(13)14)8-11-4-2-1-3-5-11/h9,11,13,16H,1-8,10,15H2
InChIKeyTZKMXRFBNDFYMH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.32
Rot. Bonds3

About [2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine

[2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine (PubChem CID 137012013) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is [2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine.

Molecular Properties

Compound Name[2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine
PubChem CID137012013
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name[2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine
SMILESNCC1CCNc2cc(CC3CCCCC3)nn21
InChIInChI=1S/C14H24N4/c15-10-13-6-7-16-14-9-12(17-18(13)14)8-11-4-2-1-3-5-11/h9,11,13,16H,1-8,10,15H2
InChIKeyTZKMXRFBNDFYMH-UHFFFAOYSA-N
XLogP2.32
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine?
The IUPAC name of [2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine (CID 137012013) is [2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine.
What is the SMILES notation for [2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine?
The canonical SMILES for [2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine is NCC1CCNc2cc(CC3CCCCC3)nn21.
What is the InChIKey of [2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine?
The InChIKey is TZKMXRFBNDFYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c15-10-13-6-7-16-14-9-12(17-18(13)14)8-11-4-2-1-3-5-11/h9,11,13,16H,1-8,10,15H2.
What are the key properties of [2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine?
[2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine is sourced from PubChem (CID 137012013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).