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

C19H24F3N5 — CID 170418772

IUPACtrans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESN[C@H]1CC[C@H](Nc2cc(C(C3CC3)C3CC3)nc3c(C(F)(F)F)cnn23)C1
InChIInChI=1S/C19H24F3N5/c20-19(21,22)14-9-24-27-16(25-13-6-5-12(23)7-13)8-15(26-18(14)27)17(10-1-2-10)11-3-4-11/h8-13,17,25H,1-7,23H2/t12-,13-/m0/s1
InChIKeyNJPIZAROFOGVAA-STQMWFEESA-N
MW379.43 g/mol
LogP3.94
Rot. Bonds5

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

trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 170418772) has the molecular formula C19H24F3N5 and a molecular weight of 379.43 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
PubChem CID170418772
Molecular FormulaC19H24F3N5
Molecular Weight379.43 g/mol
Exact Mass379.20
IUPAC Nametrans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESN[C@H]1CC[C@H](Nc2cc(C(C3CC3)C3CC3)nc3c(C(F)(F)F)cnn23)C1
InChIInChI=1S/C19H24F3N5/c20-19(21,22)14-9-24-27-16(25-13-6-5-12(23)7-13)8-15(26-18(14)27)17(10-1-2-10)11-3-4-11/h8-13,17,25H,1-7,23H2/t12-,13-/m0/s1
InChIKeyNJPIZAROFOGVAA-STQMWFEESA-N
XLogP3.94
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.94
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-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 170418772) is trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-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-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is N[C@H]1CC[C@H](Nc2cc(C(C3CC3)C3CC3)nc3c(C(F)(F)F)cnn23)C1.
What is the InChIKey of trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The InChIKey is NJPIZAROFOGVAA-STQMWFEESA-N. The full InChI is InChI=1S/C19H24F3N5/c20-19(21,22)14-9-24-27-16(25-13-6-5-12(23)7-13)8-15(26-18(14)27)17(10-1-2-10)11-3-4-11/h8-13,17,25H,1-7,23H2/t12-,13-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 379.43 g/mol, XLogP of 3.94, 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-(dicyclopropylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 170418772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).