ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine

C12H16FN3 — CID 143496708

IUPACethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine
SMILESCC.CCc1ccn(-c2ccc(F)cn2)n1
InChIInChI=1S/C10H10FN3.C2H6/c1-2-9-5-6-14(13-9)10-4-3-8(11)7-12-10;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyHPFSHHGZQONKKM-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.99
Rot. Bonds2

About ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine

ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine (PubChem CID 143496708) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine.

Molecular Properties

Compound Nameethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine
PubChem CID143496708
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Nameethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine
SMILESCC.CCc1ccn(-c2ccc(F)cn2)n1
InChIInChI=1S/C10H10FN3.C2H6/c1-2-9-5-6-14(13-9)10-4-3-8(11)7-12-10;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyHPFSHHGZQONKKM-UHFFFAOYSA-N
XLogP2.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine?
The IUPAC name of ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine (CID 143496708) is ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine.
What is the SMILES notation for ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine?
The canonical SMILES for ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine is CC.CCc1ccn(-c2ccc(F)cn2)n1.
What is the InChIKey of ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine?
The InChIKey is HPFSHHGZQONKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3.C2H6/c1-2-9-5-6-14(13-9)10-4-3-8(11)7-12-10;1-2/h3-7H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine?
ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine has a molecular weight of 221.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine is sourced from PubChem (CID 143496708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).