2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C17H22N6 — CID 70708081

IUPAC2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2(Cn3cccn3)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H22N6/c1-12-9-15(23-16(20-12)13(2)14(3)21-23)18-10-17(5-6-17)11-22-8-4-7-19-22/h4,7-9,18H,5-6,10-11H2,1-3H3
InChIKeyMCOBLPUOQKLXBO-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.74
Rot. Bonds5

About 2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70708081) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70708081
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2(Cn3cccn3)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H22N6/c1-12-9-15(23-16(20-12)13(2)14(3)21-23)18-10-17(5-6-17)11-22-8-4-7-19-22/h4,7-9,18H,5-6,10-11H2,1-3H3
InChIKeyMCOBLPUOQKLXBO-UHFFFAOYSA-N
XLogP2.74
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70708081) is 2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC2(Cn3cccn3)CC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MCOBLPUOQKLXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-12-9-15(23-16(20-12)13(2)14(3)21-23)18-10-17(5-6-17)11-22-8-4-7-19-22/h4,7-9,18H,5-6,10-11H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 310.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70708081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).