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

C12H17N5O — CID 146558351

IUPACtrans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCOc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1
InChIInChI=1S/C12H17N5O/c1-18-12-7-11(15-9-3-2-8(13)6-9)17-10(16-12)4-5-14-17/h4-5,7-9,15H,2-3,6,13H2,1H3/t8-,9-/m1/s1
InChIKeyALBMHLKNNFSOBT-RKDXNWHRSA-N
MW247.30 g/mol
LogP1.03
Rot. Bonds3

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

trans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (PubChem CID 146558351) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is trans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
PubChem CID146558351
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Nametrans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCOc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1
InChIInChI=1S/C12H17N5O/c1-18-12-7-11(15-9-3-2-8(13)6-9)17-10(16-12)4-5-14-17/h4-5,7-9,15H,2-3,6,13H2,1H3/t8-,9-/m1/s1
InChIKeyALBMHLKNNFSOBT-RKDXNWHRSA-N
XLogP1.03
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The IUPAC name of trans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (CID 146558351) is trans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is COc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1.
What is the InChIKey of trans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The InChIKey is ALBMHLKNNFSOBT-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H17N5O/c1-18-12-7-11(15-9-3-2-8(13)6-9)17-10(16-12)4-5-14-17/h4-5,7-9,15H,2-3,6,13H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
trans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine has a molecular weight of 247.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 146558351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).