7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

C13H17FN4 — CID 56884125

IUPAC7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(N2CC[C@H](F)C2)n2nccc2n1
InChIInChI=1S/C13H17FN4/c1-9(2)11-7-13(17-6-4-10(14)8-17)18-12(16-11)3-5-15-18/h3,5,7,9-10H,4,6,8H2,1-2H3/t10-/m0/s1
InChIKeyNNFZABHJKHBWDH-JTQLQIEISA-N
MW248.30 g/mol
LogP2.40
Rot. Bonds2

About 7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 56884125) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is 7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID56884125
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC Name7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(N2CC[C@H](F)C2)n2nccc2n1
InChIInChI=1S/C13H17FN4/c1-9(2)11-7-13(17-6-4-10(14)8-17)18-12(16-11)3-5-15-18/h3,5,7,9-10H,4,6,8H2,1-2H3/t10-/m0/s1
InChIKeyNNFZABHJKHBWDH-JTQLQIEISA-N
XLogP2.40
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 56884125) is 7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1cc(N2CC[C@H](F)C2)n2nccc2n1.
What is the InChIKey of 7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NNFZABHJKHBWDH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17FN4/c1-9(2)11-7-13(17-6-4-10(14)8-17)18-12(16-11)3-5-15-18/h3,5,7,9-10H,4,6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 248.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-fluoropyrrolidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56884125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).