5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile

C18H15ClN4O2 — CID 138471470

IUPAC5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile
SMILESCn1nccc1-c1cc(OCCOc2ccc(Cl)cc2C#N)ccn1
InChIInChI=1S/C18H15ClN4O2/c1-23-17(5-7-22-23)16-11-15(4-6-21-16)24-8-9-25-18-3-2-14(19)10-13(18)12-20/h2-7,10-11H,8-9H2,1H3
InChIKeyJWPXWMRZAXYJAT-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.46
Rot. Bonds6

About 5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile

5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile (PubChem CID 138471470) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile
PubChem CID138471470
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile
SMILESCn1nccc1-c1cc(OCCOc2ccc(Cl)cc2C#N)ccn1
InChIInChI=1S/C18H15ClN4O2/c1-23-17(5-7-22-23)16-11-15(4-6-21-16)24-8-9-25-18-3-2-14(19)10-13(18)12-20/h2-7,10-11H,8-9H2,1H3
InChIKeyJWPXWMRZAXYJAT-UHFFFAOYSA-N
XLogP3.46
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2-phenoxyethoxy)benzonitrile
CID 20989483
5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22683934
5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile
CID 22682686
2-(3-aminopropoxy)-5-chlorobenzonitrile
CID 62493723
5-chloro-2-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 22682440
5-chloro-2-[2-(diethylamino)ethoxy]benzonitrile
CID 22685106
5-chloro-2-(furan-2-ylmethoxy)benzonitrile
CID 22661920
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716866
4-chloro-2-pentoxybenzonitrile
CID 63094612
5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole
CID 103016138
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71719390
4-chloro-2-ethoxybenzonitrile
CID 22721189

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile?
The IUPAC name of 5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile (CID 138471470) is 5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile.
What is the SMILES notation for 5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile?
The canonical SMILES for 5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile is Cn1nccc1-c1cc(OCCOc2ccc(Cl)cc2C#N)ccn1.
What is the InChIKey of 5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile?
The InChIKey is JWPXWMRZAXYJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-23-17(5-7-22-23)16-11-15(4-6-21-16)24-8-9-25-18-3-2-14(19)10-13(18)12-20/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile?
5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile has a molecular weight of 354.80 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]ethoxy]benzonitrile is sourced from PubChem (CID 138471470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).