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

C20H25N5 — CID 146558705

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

trans-(1S,3S)-3-N-[5-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 146558705) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[5-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

• Compound Name: trans-(1S,3S)-3-N-[5-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
• PubChem CID: 146558705
• Molecular Formula: C20H25N5
• Molecular Weight: 335.46 g/mol
• Exact Mass: 335.21
• IUPAC Name: trans-(1S,3S)-3-N-[5-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
• SMILES: CC(C)c1cccc(-c2cc(N[C@H]3CC[C@H](N)C3)n3nccc3n2)c1
• InChI: InChI=1S/C20H25N5/c1-13(2)14-4-3-5-15(10-14)18-12-20(23-17-7-6-16(21)11-17)25-19(24-18)8-9-22-25/h3-5,8-10,12-13,16-17,23H,6-7,11,21H2,1-2H3/t16-,17-/m0/s1
• InChIKey: BGEUULSUHDXZMM-IRXDYDNUSA-N
• XLogP: 3.81
• TPSA: 68.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.46
LogP ≤ 5	3.81
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-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?

The IUPAC name of trans-(1S,3S)-3-N-[5-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 146558705) is trans-(1S,3S)-3-N-[5-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

What is the SMILES notation for trans-(1S,3S)-3-N-[5-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?

The canonical SMILES for trans-(1S,3S)-3-N-[5-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is CC(C)c1cccc(-c2cc(N[C@H]3CC[C@H](N)C3)n3nccc3n2)c1.

What is the InChIKey of trans-(1S,3S)-3-N-[5-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?

The InChIKey is BGEUULSUHDXZMM-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H25N5/c1-13(2)14-4-3-5-15(10-14)18-12-20(23-17-7-6-16(21)11-17)25-19(24-18)8-9-22-25/h3-5,8-10,12-13,16-17,23H,6-7,11,21H2,1-2H3/t16-,17-/m0/s1.

What are the key properties of trans-(1S,3S)-3-N-[5-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?

trans-(1S,3S)-3-N-[5-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 335.46 g/mol, XLogP of 3.81, 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-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 146558705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).