trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

C15H23N5 — CID 146558382

IUPACtrans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESCC(C)Cc1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1
InChIInChI=1S/C15H23N5/c1-10(2)7-13-9-15(18-12-4-3-11(16)8-12)20-14(19-13)5-6-17-20/h5-6,9-12,18H,3-4,7-8,16H2,1-2H3/t11-,12-/m0/s1
InChIKeyHVERIWOPBLJMDS-RYUDHWBXSA-N
MW273.38 g/mol
LogP2.22
Rot. Bonds4

About trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 146558382) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
PubChem CID146558382
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Nametrans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESCC(C)Cc1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1
InChIInChI=1S/C15H23N5/c1-10(2)7-13-9-15(18-12-4-3-11(16)8-12)20-14(19-13)5-6-17-20/h5-6,9-12,18H,3-4,7-8,16H2,1-2H3/t11-,12-/m0/s1
InChIKeyHVERIWOPBLJMDS-RYUDHWBXSA-N
XLogP2.22
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 146558382) is trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is CC(C)Cc1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1.
What is the InChIKey of trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The InChIKey is HVERIWOPBLJMDS-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23N5/c1-10(2)7-13-9-15(18-12-4-3-11(16)8-12)20-14(19-13)5-6-17-20/h5-6,9-12,18H,3-4,7-8,16H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 146558382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).