2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C17H29N3 — CID 136838650

IUPAC2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC1CC(CC)n2nc(CC3CCCCC3)cc2N1
InChIInChI=1S/C17H29N3/c1-3-14-11-16(4-2)20-17(18-14)12-15(19-20)10-13-8-6-5-7-9-13/h12-14,16,18H,3-11H2,1-2H3
InChIKeyZQTSWIBCQQRSMF-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.55
Rot. Bonds4

About 2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838650) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838650
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC1CC(CC)n2nc(CC3CCCCC3)cc2N1
InChIInChI=1S/C17H29N3/c1-3-14-11-16(4-2)20-17(18-14)12-15(19-20)10-13-8-6-5-7-9-13/h12-14,16,18H,3-11H2,1-2H3
InChIKeyZQTSWIBCQQRSMF-UHFFFAOYSA-N
XLogP4.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838650) is 2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCC1CC(CC)n2nc(CC3CCCCC3)cc2N1.
What is the InChIKey of 2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is ZQTSWIBCQQRSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-14-11-16(4-2)20-17(18-14)12-15(19-20)10-13-8-6-5-7-9-13/h12-14,16,18H,3-11H2,1-2H3.
What are the key properties of 2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 275.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-5,7-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).