trans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

C15H23N5 — CID 70758296

IUPACtrans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C15H23N5/c1-4-12-8-14(17-13-6-5-11(16)7-13)20-15(18-12)9(2)10(3)19-20/h8,11,13,17H,4-7,16H2,1-3H3/t11-,13-/m1/s1
InChIKeyRWZINYIEZZHUFS-DGCLKSJQSA-N
MW273.38 g/mol
LogP2.20
Rot. Bonds3

About trans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

trans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (PubChem CID 70758296) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is trans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
PubChem CID70758296
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Nametrans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C15H23N5/c1-4-12-8-14(17-13-6-5-11(16)7-13)20-15(18-12)9(2)10(3)19-20/h8,11,13,17H,4-7,16H2,1-3H3/t11-,13-/m1/s1
InChIKeyRWZINYIEZZHUFS-DGCLKSJQSA-N
XLogP2.20
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The IUPAC name of trans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (CID 70758296) is trans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is CCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nc(C)c(C)c2n1.
What is the InChIKey of trans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The InChIKey is RWZINYIEZZHUFS-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-12-8-14(17-13-6-5-11(16)7-13)20-15(18-12)9(2)10(3)19-20/h8,11,13,17H,4-7,16H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of trans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
trans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 70758296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).