2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile

C16H11ClN4O — CID 86725495

IUPAC2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile
SMILESCOc1cc(-c2ccnn2-c2cc(C#N)ccn2)ccc1Cl
InChIInChI=1S/C16H11ClN4O/c1-22-15-9-12(2-3-13(15)17)14-5-7-20-21(14)16-8-11(10-18)4-6-19-16/h2-9H,1H3
InChIKeyRGAMEPWSWGOZJE-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.47
Rot. Bonds3

About 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile

2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile (PubChem CID 86725495) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile
PubChem CID86725495
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile
SMILESCOc1cc(-c2ccnn2-c2cc(C#N)ccn2)ccc1Cl
InChIInChI=1S/C16H11ClN4O/c1-22-15-9-12(2-3-13(15)17)14-5-7-20-21(14)16-8-11(10-18)4-6-19-16/h2-9H,1H3
InChIKeyRGAMEPWSWGOZJE-UHFFFAOYSA-N
XLogP3.47
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725487
ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 144641810
2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725603
5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole
CID 22171007
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725529
2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725514
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-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
CID 24694849
2-[5-[(4-iodo-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725644
2-[5-[[4-chloro-2-(1-phenylethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725633

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile (CID 86725495) is 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile is COc1cc(-c2ccnn2-c2cc(C#N)ccn2)ccc1Cl.
What is the InChIKey of 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile?
The InChIKey is RGAMEPWSWGOZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c1-22-15-9-12(2-3-13(15)17)14-5-7-20-21(14)16-8-11(10-18)4-6-19-16/h2-9H,1H3.
What are the key properties of 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile?
2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile has a molecular weight of 310.74 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 86725495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).