2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H25N3 — CID 136841127

IUPAC2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1c(C2CCCC2)nn2c1NCCC2C1CCCC1
InChIInChI=1S/C16H25N3/c1-2-6-12(5-1)14-11-16-17-10-9-15(19(16)18-14)13-7-3-4-8-13/h11-13,15,17H,1-10H2
InChIKeyFXCLCFTUEHSGMV-UHFFFAOYSA-N
MW259.40 g/mol
LogP4.09
Rot. Bonds2

About 2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841127) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841127
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1c(C2CCCC2)nn2c1NCCC2C1CCCC1
InChIInChI=1S/C16H25N3/c1-2-6-12(5-1)14-11-16-17-10-9-15(19(16)18-14)13-7-3-4-8-13/h11-13,15,17H,1-10H2
InChIKeyFXCLCFTUEHSGMV-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837454
2-(oxan-4-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841290
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-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 136841109
(2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 136841253
2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841086
7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838968
2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841108
2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841096
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

Frequently Asked Questions

What is the IUPAC name of 2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841127) is 2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is c1c(C2CCCC2)nn2c1NCCC2C1CCCC1.
What is the InChIKey of 2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is FXCLCFTUEHSGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-6-12(5-1)14-11-16-17-10-9-15(19(16)18-14)13-7-3-4-8-13/h11-13,15,17H,1-10H2.
What are the key properties of 2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 259.40 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).