ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile

C20H22N4O2 — CID 144641810

IUPACethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESCC.COc1cc(C)ccc1COc1ccnn1-c1cc(C#N)ccn1
InChIInChI=1S/C18H16N4O2.C2H6/c1-13-3-4-15(16(9-13)23-2)12-24-18-6-8-21-22(18)17-10-14(11-19)5-7-20-17;1-2/h3-10H,12H2,1-2H3;1-2H3
InChIKeyFGHGLZUJJJKVQB-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.06
Rot. Bonds5

About ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile

ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile (PubChem CID 144641810) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Nameethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
PubChem CID144641810
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Nameethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESCC.COc1cc(C)ccc1COc1ccnn1-c1cc(C#N)ccn1
InChIInChI=1S/C18H16N4O2.C2H6/c1-13-3-4-15(16(9-13)23-2)12-24-18-6-8-21-22(18)17-10-14(11-19)5-7-20-17;1-2/h3-10H,12H2,1-2H3;1-2H3
InChIKeyFGHGLZUJJJKVQB-UHFFFAOYSA-N
XLogP4.06
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725627
[2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]-4-pyridinyl]methanediol
CID 126724841
2-[5-[(4-iodo-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725644
2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725603
2-[5-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725551
2-[5-[(2-butoxy-4-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725595
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-[[4-chloro-2-(1-phenylethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725633
2-[5-[(3-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725536
2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725614
2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725495

Frequently Asked Questions

What is the IUPAC name of ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The IUPAC name of ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile (CID 144641810) is ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile is CC.COc1cc(C)ccc1COc1ccnn1-c1cc(C#N)ccn1.
What is the InChIKey of ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The InChIKey is FGHGLZUJJJKVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2.C2H6/c1-13-3-4-15(16(9-13)23-2)12-24-18-6-8-21-22(18)17-10-14(11-19)5-7-20-17;1-2/h3-10H,12H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile has a molecular weight of 350.42 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 144641810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).