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

C14H24N4 — CID 136841253

IUPAC(2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESNCC1CCNc2cc(C3CCCCCC3)nn21
InChIInChI=1S/C14H24N4/c15-10-12-7-8-16-14-9-13(17-18(12)14)11-5-3-1-2-4-6-11/h9,11-12,16H,1-8,10,15H2
InChIKeyXXMBBEYHBBUXFC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.64
Rot. Bonds2

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

(2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine (PubChem CID 136841253) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine.

Molecular Properties

Compound Name(2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
PubChem CID136841253
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name(2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESNCC1CCNc2cc(C3CCCCCC3)nn21
InChIInChI=1S/C14H24N4/c15-10-12-7-8-16-14-9-13(17-18(12)14)11-5-3-1-2-4-6-11/h9,11-12,16H,1-8,10,15H2
InChIKeyXXMBBEYHBBUXFC-UHFFFAOYSA-N
XLogP2.64
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 136841109
[2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine
CID 137012013
(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 136709237
(2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 136839046
2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841127
7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841107
2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841112
2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841086
2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841108
2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841259
2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841114
2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841096

Frequently Asked Questions

What is the IUPAC name of (2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The IUPAC name of (2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine (CID 136841253) is (2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine.
What is the SMILES notation for (2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The canonical SMILES for (2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine is NCC1CCNc2cc(C3CCCCCC3)nn21.
What is the InChIKey of (2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The InChIKey is XXMBBEYHBBUXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c15-10-12-7-8-16-14-9-13(17-18(12)14)11-5-3-1-2-4-6-11/h9,11-12,16H,1-8,10,15H2.
What are the key properties of (2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
(2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine is sourced from PubChem (CID 136841253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).