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

C18H27N5 — CID 171409638

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

trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 171409638) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

• Compound Name: trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
• PubChem CID: 171409638
• Molecular Formula: C18H27N5
• Molecular Weight: 313.45 g/mol
• Exact Mass: 313.23
• IUPAC Name: trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
• SMILES: CCC(c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1)C1CCC1
• InChI: InChI=1S/C18H27N5/c1-2-15(12-4-3-5-12)16-11-18(21-14-7-6-13(19)10-14)23-17(22-16)8-9-20-23/h8-9,11-15,21H,2-7,10,19H2,1H3/t13-,14-,15?/m0/s1
• InChIKey: IEJYFVINRIODGD-ZYOSVBKOSA-N
• XLogP: 3.31
• TPSA: 68.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.45
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?

The IUPAC name of trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 171409638) is trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

What is the SMILES notation for trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?

The canonical SMILES for trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is CCC(c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1)C1CCC1.

What is the InChIKey of trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?

The InChIKey is IEJYFVINRIODGD-ZYOSVBKOSA-N. The full InChI is InChI=1S/C18H27N5/c1-2-15(12-4-3-5-12)16-11-18(21-14-7-6-13(19)10-14)23-17(22-16)8-9-20-23/h8-9,11-15,21H,2-7,10,19H2,1H3/t13-,14-,15?/m0/s1.

What are the key properties of trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?

trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 313.45 g/mol, XLogP of 3.31, 5 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-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 171409638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).