ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine

C20H28FN3 — CID 143047131

IUPACethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
SMILESCC.CC.CC.Fc1ccc(-c2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C14H10FN3.3C2H6/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10;3*1-2/h1-9H,(H,17,18);3*1-2H3
InChIKeyVHTQCHWGPGMPAX-UHFFFAOYSA-N
MW329.46 g/mol
LogP6.36
Rot. Bonds2

About ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine

ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine (PubChem CID 143047131) has the molecular formula C20H28FN3 and a molecular weight of 329.46 g/mol. Its IUPAC name is ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Nameethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
PubChem CID143047131
Molecular FormulaC20H28FN3
Molecular Weight329.46 g/mol
Exact Mass329.23
IUPAC Nameethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
SMILESCC.CC.CC.Fc1ccc(-c2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C14H10FN3.3C2H6/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10;3*1-2/h1-9H,(H,17,18);3*1-2H3
InChIKeyVHTQCHWGPGMPAX-UHFFFAOYSA-N
XLogP6.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.46
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine (CID 143047131) is ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine is CC.CC.CC.Fc1ccc(-c2[nH]ncc2-c2ccncc2)cc1.
What is the InChIKey of ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is VHTQCHWGPGMPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3.3C2H6/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10;3*1-2/h1-9H,(H,17,18);3*1-2H3.
What are the key properties of ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine?
ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 329.46 g/mol, XLogP of 6.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 143047131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).