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

C17H23N7 — CID 70737490

IUPACN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)c2nncn2C2CCCC2)n2nc(C)cc2n1
InChIInChI=1S/C17H23N7/c1-11-8-16(24-15(19-11)9-12(2)22-24)20-13(3)17-21-18-10-23(17)14-6-4-5-7-14/h8-10,13-14,20H,4-7H2,1-3H3
InChIKeyZYLWUGVDAJPMHM-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.23
Rot. Bonds4

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

N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70737490) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70737490
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)c2nncn2C2CCCC2)n2nc(C)cc2n1
InChIInChI=1S/C17H23N7/c1-11-8-16(24-15(19-11)9-12(2)22-24)20-13(3)17-21-18-10-23(17)14-6-4-5-7-14/h8-10,13-14,20H,4-7H2,1-3H3
InChIKeyZYLWUGVDAJPMHM-UHFFFAOYSA-N
XLogP3.23
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.23
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]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70737490) is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(C)c2nncn2C2CCCC2)n2nc(C)cc2n1.
What is the InChIKey of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZYLWUGVDAJPMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-11-8-16(24-15(19-11)9-12(2)22-24)20-13(3)17-21-18-10-23(17)14-6-4-5-7-14/h8-10,13-14,20H,4-7H2,1-3H3.
What are the key properties of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 325.42 g/mol, XLogP of 3.23, 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]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70737490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).