3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile

C14H15N3O2 — CID 172914750

IUPAC3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile
SMILESCOCCn1cc(-c2ccc(C#N)cc2OC)cn1
InChIInChI=1S/C14H15N3O2/c1-18-6-5-17-10-12(9-16-17)13-4-3-11(8-15)7-14(13)19-2/h3-4,7,9-10H,5-6H2,1-2H3
InChIKeyRQUOJUMOZGMZOV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.08
Rot. Bonds5

About 3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile

3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile (PubChem CID 172914750) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile
PubChem CID172914750
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile
SMILESCOCCn1cc(-c2ccc(C#N)cc2OC)cn1
InChIInChI=1S/C14H15N3O2/c1-18-6-5-17-10-12(9-16-17)13-4-3-11(8-15)7-14(13)19-2/h3-4,7,9-10H,5-6H2,1-2H3
InChIKeyRQUOJUMOZGMZOV-UHFFFAOYSA-N
XLogP2.08
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzonitrile
CID 172914763
4-methoxy-3-[1-(2-methylpropyl)pyrazol-4-yl]benzonitrile
CID 172914962
tert-butyl 3-[[4-(4-cyano-2-methoxyphenyl)pyrazol-1-yl]methyl]azetidine-1-carboxylate
CID 172914755
tert-butyl 4-[[4-(4-cyano-2-methoxyphenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 172914764
1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole
CID 166333732
4-(1-butylpyrazol-4-yl)-3-(trifluoromethyl)benzonitrile
CID 170855207
tert-butyl N-[3-[4-[4-cyano-2-(trifluoromethoxy)phenyl]pyrazol-1-yl]propyl]carbamate
CID 172914782
4-fluoro-2-[1-(2-methoxyethyl)pyrazol-4-yl]aniline
CID 171116020
3-chloro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172914739
6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
CID 60968027
2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
4-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzonitrile
CID 170855217

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile?
The IUPAC name of 3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile (CID 172914750) is 3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile.
What is the SMILES notation for 3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile?
The canonical SMILES for 3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile is COCCn1cc(-c2ccc(C#N)cc2OC)cn1.
What is the InChIKey of 3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile?
The InChIKey is RQUOJUMOZGMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-18-6-5-17-10-12(9-16-17)13-4-3-11(8-15)7-14(13)19-2/h3-4,7,9-10H,5-6H2,1-2H3.
What are the key properties of 3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile?
3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile has a molecular weight of 257.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile is sourced from PubChem (CID 172914750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).