6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine

C16H23N3 — CID 58235112

IUPAC6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)C1CCC(Cc2cnc3ccnn3c2)C1
InChIInChI=1S/C16H23N3/c1-16(2,3)14-5-4-12(9-14)8-13-10-17-15-6-7-18-19(15)11-13/h6-7,10-12,14H,4-5,8-9H2,1-3H3
InChIKeyVSKXWXAPAWCEKZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.73
Rot. Bonds2

About 6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine

6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 58235112) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID58235112
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)C1CCC(Cc2cnc3ccnn3c2)C1
InChIInChI=1S/C16H23N3/c1-16(2,3)14-5-4-12(9-14)8-13-10-17-15-6-7-18-19(15)11-13/h6-7,10-12,14H,4-5,8-9H2,1-3H3
InChIKeyVSKXWXAPAWCEKZ-UHFFFAOYSA-N
XLogP3.73
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine (CID 58235112) is 6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine is CC(C)(C)C1CCC(Cc2cnc3ccnn3c2)C1.
What is the InChIKey of 6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is VSKXWXAPAWCEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,3)14-5-4-12(9-14)8-13-10-17-15-6-7-18-19(15)11-13/h6-7,10-12,14H,4-5,8-9H2,1-3H3.
What are the key properties of 6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine?
6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 257.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-tert-butylcyclopentyl)methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58235112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).