2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile

C18H16N4O — CID 86725627

IUPAC2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESCc1ccc(COc2ccnn2-c2cc(C#N)ccn2)c(C)c1
InChIInChI=1S/C18H16N4O/c1-13-3-4-16(14(2)9-13)12-23-18-6-8-21-22(18)17-10-15(11-19)5-7-20-17/h3-10H,12H2,1-2H3
InChIKeyTZAMWDNETLKYAT-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.33
Rot. Bonds4

About 2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile

2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile (PubChem CID 86725627) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
PubChem CID86725627
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESCc1ccc(COc2ccnn2-c2cc(C#N)ccn2)c(C)c1
InChIInChI=1S/C18H16N4O/c1-13-3-4-16(14(2)9-13)12-23-18-6-8-21-22(18)17-10-15(11-19)5-7-20-17/h3-10H,12H2,1-2H3
InChIKeyTZAMWDNETLKYAT-UHFFFAOYSA-N
XLogP3.33
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile (CID 86725627) is 2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile is Cc1ccc(COc2ccnn2-c2cc(C#N)ccn2)c(C)c1.
What is the InChIKey of 2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The InChIKey is TZAMWDNETLKYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-3-4-16(14(2)9-13)12-23-18-6-8-21-22(18)17-10-15(11-19)5-7-20-17/h3-10H,12H2,1-2H3.
What are the key properties of 2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 86725627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).