7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine

C13H17FN4 — CID 163343464

IUPAC7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC(CF)C2)n2nccc2n1
InChIInChI=1S/C13H17FN4/c1-10-7-13(18-12(16-10)4-5-15-18)17-6-2-3-11(8-14)9-17/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyGKSVLUVPDVGHQD-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.22
Rot. Bonds2

About 7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine

7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 163343464) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is 7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID163343464
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC Name7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC(CF)C2)n2nccc2n1
InChIInChI=1S/C13H17FN4/c1-10-7-13(18-12(16-10)4-5-15-18)17-6-2-3-11(8-14)9-17/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyGKSVLUVPDVGHQD-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (CID 163343464) is 7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCCC(CF)C2)n2nccc2n1.
What is the InChIKey of 7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is GKSVLUVPDVGHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-10-7-13(18-12(16-10)4-5-15-18)17-6-2-3-11(8-14)9-17/h4-5,7,11H,2-3,6,8-9H2,1H3.
What are the key properties of 7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 248.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163343464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).