4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine

C18H24FN3O — CID 18187819

IUPAC4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine
SMILESCCn1nc(Cc2ccc(F)c(OC)c2)cc1C1CCNCC1
InChIInChI=1S/C18H24FN3O/c1-3-22-17(14-6-8-20-9-7-14)12-15(21-22)10-13-4-5-16(19)18(11-13)23-2/h4-5,11-12,14,20H,3,6-10H2,1-2H3
InChIKeyVFOSDQQAWUKEEA-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.11
Rot. Bonds5

About 4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine

4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine (PubChem CID 18187819) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine
PubChem CID18187819
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine
SMILESCCn1nc(Cc2ccc(F)c(OC)c2)cc1C1CCNCC1
InChIInChI=1S/C18H24FN3O/c1-3-22-17(14-6-8-20-9-7-14)12-15(21-22)10-13-4-5-16(19)18(11-13)23-2/h4-5,11-12,14,20H,3,6-10H2,1-2H3
InChIKeyVFOSDQQAWUKEEA-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine?
The IUPAC name of 4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine (CID 18187819) is 4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine is CCn1nc(Cc2ccc(F)c(OC)c2)cc1C1CCNCC1.
What is the InChIKey of 4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine?
The InChIKey is VFOSDQQAWUKEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-3-22-17(14-6-8-20-9-7-14)12-15(21-22)10-13-4-5-16(19)18(11-13)23-2/h4-5,11-12,14,20H,3,6-10H2,1-2H3.
What are the key properties of 4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine?
4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine has a molecular weight of 317.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine is sourced from PubChem (CID 18187819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).