4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine

C24H21ClFN3 — CID 139994630

IUPAC4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine
SMILESFc1c(C2CCNCC2)nn(-c2cccc(Cl)c2)c1-c1ccc2ccccc2c1
InChIInChI=1S/C24H21ClFN3/c25-20-6-3-7-21(15-20)29-24(19-9-8-16-4-1-2-5-18(16)14-19)22(26)23(28-29)17-10-12-27-13-11-17/h1-9,14-15,17,27H,10-13H2
InChIKeyDQMZNGJREGCDAL-UHFFFAOYSA-N
MW405.90 g/mol
LogP5.95
Rot. Bonds3

About 4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine

4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine (PubChem CID 139994630) has the molecular formula C24H21ClFN3 and a molecular weight of 405.90 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine
PubChem CID139994630
Molecular FormulaC24H21ClFN3
Molecular Weight405.90 g/mol
Exact Mass405.14
IUPAC Name4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine
SMILESFc1c(C2CCNCC2)nn(-c2cccc(Cl)c2)c1-c1ccc2ccccc2c1
InChIInChI=1S/C24H21ClFN3/c25-20-6-3-7-21(15-20)29-24(19-9-8-16-4-1-2-5-18(16)14-19)22(26)23(28-29)17-10-12-27-13-11-17/h1-9,14-15,17,27H,10-13H2
InChIKeyDQMZNGJREGCDAL-UHFFFAOYSA-N
XLogP5.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.90
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine?
The IUPAC name of 4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine (CID 139994630) is 4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine.
What is the SMILES notation for 4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine?
The canonical SMILES for 4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine is Fc1c(C2CCNCC2)nn(-c2cccc(Cl)c2)c1-c1ccc2ccccc2c1.
What is the InChIKey of 4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine?
The InChIKey is DQMZNGJREGCDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3/c25-20-6-3-7-21(15-20)29-24(19-9-8-16-4-1-2-5-18(16)14-19)22(26)23(28-29)17-10-12-27-13-11-17/h1-9,14-15,17,27H,10-13H2.
What are the key properties of 4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine?
4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine has a molecular weight of 405.90 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine is sourced from PubChem (CID 139994630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).