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

C18H24F3N5 — CID 171409692

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

trans-(1S,3S)-3-N-[5-(2-cyclopropylpropan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 171409692) has the molecular formula C18H24F3N5 and a molecular weight of 367.42 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[5-(2-cyclopropylpropan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

• Compound Name: trans-(1S,3S)-3-N-[5-(2-cyclopropylpropan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
• PubChem CID: 171409692
• Molecular Formula: C18H24F3N5
• Molecular Weight: 367.42 g/mol
• Exact Mass: 367.20
• IUPAC Name: trans-(1S,3S)-3-N-[5-(2-cyclopropylpropan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
• SMILES: CC(C)(c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C(F)(F)F)c2n1)C1CC1
• InChI: InChI=1S/C18H24F3N5/c1-17(2,10-3-4-10)14-8-15(24-12-6-5-11(22)7-12)26-16(25-14)13(9-23-26)18(19,20)21/h8-12,24H,3-7,22H2,1-2H3/t11-,12-/m0/s1
• InChIKey: BHRZWOFZPSHURF-RYUDHWBXSA-N
• XLogP: 3.73
• TPSA: 68.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.42
LogP ≤ 5	3.73
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-(2-cyclopropylpropan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?

The IUPAC name of trans-(1S,3S)-3-N-[5-(2-cyclopropylpropan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 171409692) is trans-(1S,3S)-3-N-[5-(2-cyclopropylpropan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

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

The canonical SMILES for trans-(1S,3S)-3-N-[5-(2-cyclopropylpropan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is CC(C)(c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C(F)(F)F)c2n1)C1CC1.

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

The InChIKey is BHRZWOFZPSHURF-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H24F3N5/c1-17(2,10-3-4-10)14-8-15(24-12-6-5-11(22)7-12)26-16(25-14)13(9-23-26)18(19,20)21/h8-12,24H,3-7,22H2,1-2H3/t11-,12-/m0/s1.

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

trans-(1S,3S)-3-N-[5-(2-cyclopropylpropan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 367.42 g/mol, XLogP of 3.73, 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-cyclopropylpropan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 171409692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).