5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine

C16H15F2N5 — CID 134480305

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESNc1cc2nc(N3CCC[C@@H]3c3cc(F)ccc3F)ccn2n1
InChIInChI=1S/C16H15F2N5/c17-10-3-4-12(18)11(8-10)13-2-1-6-22(13)15-5-7-23-16(20-15)9-14(19)21-23/h3-5,7-9,13H,1-2,6H2,(H2,19,21)/t13-/m1/s1
InChIKeyLRYFLXCAOAMPRO-CYBMUJFWSA-N
MW315.33 g/mol
LogP2.93
Rot. Bonds2

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 134480305) has the molecular formula C16H15F2N5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID134480305
Molecular FormulaC16H15F2N5
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESNc1cc2nc(N3CCC[C@@H]3c3cc(F)ccc3F)ccn2n1
InChIInChI=1S/C16H15F2N5/c17-10-3-4-12(18)11(8-10)13-2-1-6-22(13)15-5-7-23-16(20-15)9-14(19)21-23/h3-5,7-9,13H,1-2,6H2,(H2,19,21)/t13-/m1/s1
InChIKeyLRYFLXCAOAMPRO-CYBMUJFWSA-N
XLogP2.93
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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US10399985, Example 8
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3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine (CID 134480305) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine is Nc1cc2nc(N3CCC[C@@H]3c3cc(F)ccc3F)ccn2n1.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is LRYFLXCAOAMPRO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15F2N5/c17-10-3-4-12(18)11(8-10)13-2-1-6-22(13)15-5-7-23-16(20-15)9-14(19)21-23/h3-5,7-9,13H,1-2,6H2,(H2,19,21)/t13-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 315.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 134480305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).