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

C13H21N3 — CID 136841259

IUPAC2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1c(C2CCCCCC2)nn2c1NCCC2
InChIInChI=1S/C13H21N3/c1-2-4-7-11(6-3-1)12-10-13-14-8-5-9-16(13)15-12/h10-11,14H,1-9H2
InChIKeyDVDZEALIYMEYEF-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds1

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

2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841259) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841259
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESc1c(C2CCCCCC2)nn2c1NCCC2
InChIInChI=1S/C13H21N3/c1-2-4-7-11(6-3-1)12-10-13-14-8-5-9-16(13)15-12/h10-11,14H,1-9H2
InChIKeyDVDZEALIYMEYEF-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841259) is 2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is c1c(C2CCCCCC2)nn2c1NCCC2.
What is the InChIKey of 2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is DVDZEALIYMEYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-4-7-11(6-3-1)12-10-13-14-8-5-9-16(13)15-12/h10-11,14H,1-9H2.
What are the key properties of 2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 219.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).