2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile

C24H18ClFN4O — CID 86725614

IUPAC2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2nccc2OCc2ccc(Cl)cc2CCc2ccc(F)cc2)c1
InChIInChI=1S/C24H18ClFN4O/c25-21-6-5-20(19(14-21)4-1-17-2-7-22(26)8-3-17)16-31-24-10-12-29-30(24)23-13-18(15-27)9-11-28-23/h2-3,5-14H,1,4,16H2
InChIKeyCQMXRDCIONSSLY-UHFFFAOYSA-N
MW432.89 g/mol
LogP5.30
Rot. Bonds7

About 2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile

2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile (PubChem CID 86725614) has the molecular formula C24H18ClFN4O and a molecular weight of 432.89 g/mol. Its IUPAC name is 2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
PubChem CID86725614
Molecular FormulaC24H18ClFN4O
Molecular Weight432.89 g/mol
Exact Mass432.12
IUPAC Name2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2nccc2OCc2ccc(Cl)cc2CCc2ccc(F)cc2)c1
InChIInChI=1S/C24H18ClFN4O/c25-21-6-5-20(19(14-21)4-1-17-2-7-22(26)8-3-17)16-31-24-10-12-29-30(24)23-13-18(15-27)9-11-28-23/h2-3,5-14H,1,4,16H2
InChIKeyCQMXRDCIONSSLY-UHFFFAOYSA-N
XLogP5.30
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.89
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile with MolForge

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Related Compounds

2-[5-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725551
2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725603
2-[5-[(2-butoxy-4-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725595
2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725627
2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725529
2-[5-[[4-chloro-2-(1-phenylethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725633
2-[5-[(4-iodo-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725644
ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 144641810
2-[5-[(3-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725536
2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725514
2-[5-[[4-chloro-2-(2-phenylethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205285
2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725487

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile (CID 86725614) is 2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(-n2nccc2OCc2ccc(Cl)cc2CCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The InChIKey is CQMXRDCIONSSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O/c25-21-6-5-20(19(14-21)4-1-17-2-7-22(26)8-3-17)16-31-24-10-12-29-30(24)23-13-18(15-27)9-11-28-23/h2-3,5-14H,1,4,16H2.
What are the key properties of 2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile has a molecular weight of 432.89 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 86725614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).