1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile

C14H16N4O — CID 106485435

IUPAC1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile
SMILESCNCc1ccccc1Oc1c(C#N)c(C)nn1C
InChIInChI=1S/C14H16N4O/c1-10-12(8-15)14(18(3)17-10)19-13-7-5-4-6-11(13)9-16-2/h4-7,16H,9H2,1-3H3
InChIKeyUPKHJTLFFGEQLU-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.11
Rot. Bonds4

About 1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile

1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile (PubChem CID 106485435) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile
PubChem CID106485435
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile
SMILESCNCc1ccccc1Oc1c(C#N)c(C)nn1C
InChIInChI=1S/C14H16N4O/c1-10-12(8-15)14(18(3)17-10)19-13-7-5-4-6-11(13)9-16-2/h4-7,16H,9H2,1-3H3
InChIKeyUPKHJTLFFGEQLU-UHFFFAOYSA-N
XLogP2.11
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-(3-methyl-2-nitrophenoxy)pyrazole-4-carbonitrile
CID 63751156
5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 63758358
3-(4-cyano-1,3-dimethylpyrazol-5-yl)oxypyridine-2-carboxylic acid
CID 63758399
5-(2-amino-4-methylphenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 63758899
5-(2-chloro-4-methylphenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 55243677
5-[3-(benzylamino)propoxy]-1,3-dimethylpyrazole-4-carbonitrile
CID 114783136
5-(4-amino-2-fluorophenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 63758546
5-(3-ethoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 55243676
5-(4-amino-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 55241332
5-(2-amino-6-chlorophenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 107717831
5-[3-(aminomethyl)phenoxy]-1,3-dimethylpyrazole-4-carbonitrile
CID 106485851
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile (CID 106485435) is 1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile is CNCc1ccccc1Oc1c(C#N)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile?
The InChIKey is UPKHJTLFFGEQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-12(8-15)14(18(3)17-10)19-13-7-5-4-6-11(13)9-16-2/h4-7,16H,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile is sourced from PubChem (CID 106485435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).