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

C19H27N7 — CID 56900430

IUPACN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(NC(C)c3nncn3C3CCCC3)n2n1
InChIInChI=1S/C19H27N7/c1-12(2)16-10-18(26-17(22-16)9-13(3)24-26)21-14(4)19-23-20-11-25(19)15-7-5-6-8-15/h9-12,14-15,21H,5-8H2,1-4H3
InChIKeyBUJQCBZXAHNYLO-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.04
Rot. Bonds5

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

N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56900430) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56900430
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(NC(C)c3nncn3C3CCCC3)n2n1
InChIInChI=1S/C19H27N7/c1-12(2)16-10-18(26-17(22-16)9-13(3)24-26)21-14(4)19-23-20-11-25(19)15-7-5-6-8-15/h9-12,14-15,21H,5-8H2,1-4H3
InChIKeyBUJQCBZXAHNYLO-UHFFFAOYSA-N
XLogP4.04
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.04
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-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56900430) is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(C(C)C)cc(NC(C)c3nncn3C3CCCC3)n2n1.
What is the InChIKey of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BUJQCBZXAHNYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-12(2)16-10-18(26-17(22-16)9-13(3)24-26)21-14(4)19-23-20-11-25(19)15-7-5-6-8-15/h9-12,14-15,21H,5-8H2,1-4H3.
What are the key properties of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 353.47 g/mol, XLogP of 4.04, 5 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-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56900430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).