2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile

C14H16N4O — CID 106787213

IUPAC2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile
SMILESCOc1cc(CNCc2cnn(C)c2)ccc1C#N
InChIInChI=1S/C14H16N4O/c1-18-10-12(9-17-18)8-16-7-11-3-4-13(6-15)14(5-11)19-2/h3-5,9-10,16H,7-8H2,1-2H3
InChIKeySJZCUQWXDONTFN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.59
Rot. Bonds5

About 2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile

2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile (PubChem CID 106787213) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile
PubChem CID106787213
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile
SMILESCOc1cc(CNCc2cnn(C)c2)ccc1C#N
InChIInChI=1S/C14H16N4O/c1-18-10-12(9-17-18)8-16-7-11-3-4-13(6-15)14(5-11)19-2/h3-5,9-10,16H,7-8H2,1-2H3
InChIKeySJZCUQWXDONTFN-UHFFFAOYSA-N
XLogP1.59
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 106787787
4-[[(4-cyanophenyl)methylamino]methyl]-2-methoxybenzonitrile
CID 106787146
4-methoxy-2-[(1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 81299070
4-[(but-2-ynylamino)methyl]-2-methoxybenzonitrile
CID 106787840
2-methoxy-4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzonitrile
CID 106787489
2-methoxy-5-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 115320187
2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile
CID 106786936
N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide
CID 77066173
2-methoxy-4-[(2-methylsulfanylethylamino)methyl]benzonitrile
CID 106787515
1-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881865
2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 106787055
2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 106787110

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile?
The IUPAC name of 2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile (CID 106787213) is 2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile is COc1cc(CNCc2cnn(C)c2)ccc1C#N.
What is the InChIKey of 2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile?
The InChIKey is SJZCUQWXDONTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-10-12(9-17-18)8-16-7-11-3-4-13(6-15)14(5-11)19-2/h3-5,9-10,16H,7-8H2,1-2H3.
What are the key properties of 2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile?
2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 106787213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).