N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

C18H25N7 — CID 56899469

IUPACN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)c2nncn2C2CCCC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C18H25N7/c1-11-9-16(25-17(20-11)12(2)13(3)23-25)21-14(4)18-22-19-10-24(18)15-7-5-6-8-15/h9-10,14-15,21H,5-8H2,1-4H3
InChIKeyIWCFDBUSBMNMLV-UHFFFAOYSA-N
MW339.45 g/mol
LogP3.53
Rot. Bonds4

About N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56899469) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56899469
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)c2nncn2C2CCCC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C18H25N7/c1-11-9-16(25-17(20-11)12(2)13(3)23-25)21-14(4)18-22-19-10-24(18)15-7-5-6-8-15/h9-10,14-15,21H,5-8H2,1-4H3
InChIKeyIWCFDBUSBMNMLV-UHFFFAOYSA-N
XLogP3.53
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56899469) is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(C)c2nncn2C2CCCC2)n2nc(C)c(C)c2n1.
What is the InChIKey of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IWCFDBUSBMNMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-11-9-16(25-17(20-11)12(2)13(3)23-25)21-14(4)18-22-19-10-24(18)15-7-5-6-8-15/h9-10,14-15,21H,5-8H2,1-4H3.
What are the key properties of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 339.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56899469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).