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

C19H17ClN4O3 — CID 86725603

IUPAC2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESCOCCOc1cc(Cl)ccc1COc1ccnn1-c1cc(C#N)ccn1
InChIInChI=1S/C19H17ClN4O3/c1-25-8-9-26-17-11-16(20)3-2-15(17)13-27-19-5-7-23-24(19)18-10-14(12-21)4-6-22-18/h2-7,10-11H,8-9,13H2,1H3
InChIKeyNISJMUPQFHUQDB-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.40
Rot. Bonds8

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

2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile (PubChem CID 86725603) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
PubChem CID86725603
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESCOCCOc1cc(Cl)ccc1COc1ccnn1-c1cc(C#N)ccn1
InChIInChI=1S/C19H17ClN4O3/c1-25-8-9-26-17-11-16(20)3-2-15(17)13-27-19-5-7-23-24(19)18-10-14(12-21)4-6-22-18/h2-7,10-11H,8-9,13H2,1H3
InChIKeyNISJMUPQFHUQDB-UHFFFAOYSA-N
XLogP3.40
TPSA82.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[(2-butoxy-4-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725595
2-[5-[[4-chloro-2-(1-phenylethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725633
ethane;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 144641810
2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725614
2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725627
2-[5-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725551
2-[5-[(4-iodo-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725644
2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725529
2-[5-[[4-chloro-2-(2-phenylethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205285
2-[5-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205315
2-[5-[(3-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725536
2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725495

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile (CID 86725603) is 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile is COCCOc1cc(Cl)ccc1COc1ccnn1-c1cc(C#N)ccn1.
What is the InChIKey of 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The InChIKey is NISJMUPQFHUQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-25-8-9-26-17-11-16(20)3-2-15(17)13-27-19-5-7-23-24(19)18-10-14(12-21)4-6-22-18/h2-7,10-11H,8-9,13H2,1H3.
What are the key properties of 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile has a molecular weight of 384.82 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 86725603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).