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

C15H19F2N5 — CID 170418782

IUPACtrans-(1S,3S)-3-N-[5-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESN[C@H]1CC[C@H](Nc2cc(C(F)(F)C3CC3)nc3ccnn23)C1
InChIInChI=1S/C15H19F2N5/c16-15(17,9-1-2-9)12-8-14(20-11-4-3-10(18)7-11)22-13(21-12)5-6-19-22/h5-6,8-11,20H,1-4,7,18H2/t10-,11-/m0/s1
InChIKeyXFNNLTKFDQVGOW-QWRGUYRKSA-N
MW307.35 g/mol
LogP2.52
Rot. Bonds4

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

trans-(1S,3S)-3-N-[5-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 170418782) has the molecular formula C15H19F2N5 and a molecular weight of 307.35 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[5-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-[5-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
PubChem CID170418782
Molecular FormulaC15H19F2N5
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Nametrans-(1S,3S)-3-N-[5-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESN[C@H]1CC[C@H](Nc2cc(C(F)(F)C3CC3)nc3ccnn23)C1
InChIInChI=1S/C15H19F2N5/c16-15(17,9-1-2-9)12-8-14(20-11-4-3-10(18)7-11)22-13(21-12)5-6-19-22/h5-6,8-11,20H,1-4,7,18H2/t10-,11-/m0/s1
InChIKeyXFNNLTKFDQVGOW-QWRGUYRKSA-N
XLogP2.52
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.52
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-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-[5-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 170418782) is trans-(1S,3S)-3-N-[5-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-[5-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-[5-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is N[C@H]1CC[C@H](Nc2cc(C(F)(F)C3CC3)nc3ccnn23)C1.
What is the InChIKey of trans-(1S,3S)-3-N-[5-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The InChIKey is XFNNLTKFDQVGOW-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H19F2N5/c16-15(17,9-1-2-9)12-8-14(20-11-4-3-10(18)7-11)22-13(21-12)5-6-19-22/h5-6,8-11,20H,1-4,7,18H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-[5-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-[5-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 307.35 g/mol, XLogP of 2.52, 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-[cyclopropyl(difluoro)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 170418782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).