5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

C14H16N4 — CID 63751974

IUPAC5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(C)Cc2ccccc2)c1C#N
InChIInChI=1S/C14H16N4/c1-11-13(9-15)14(18(3)16-11)17(2)10-12-7-5-4-6-8-12/h4-8H,10H2,1-3H3
InChIKeyGAOWRYDTTXFSAL-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.24
Rot. Bonds3

About 5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63751974) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63751974
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(C)Cc2ccccc2)c1C#N
InChIInChI=1S/C14H16N4/c1-11-13(9-15)14(18(3)16-11)17(2)10-12-7-5-4-6-8-12/h4-8H,10H2,1-3H3
InChIKeyGAOWRYDTTXFSAL-UHFFFAOYSA-N
XLogP2.24
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile
CID 63753001
4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
CID 63784911
5-[(4-bromothiophen-2-yl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63752150
5-[(5-amino-2-chlorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757012
5-[benzyl(methyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952062
3-[[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]benzonitrile
CID 62980819
5-[(3-aminophenyl)methyl-propylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63756312
5-[3-(benzylamino)propoxy]-1,3-dimethylpyrazole-4-carbonitrile
CID 114783136
5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63751809
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide
CID 55243869
5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 113285589
ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate
CID 63758747

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (CID 63751974) is 5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(N(C)Cc2ccccc2)c1C#N.
What is the InChIKey of 5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is GAOWRYDTTXFSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-11-13(9-15)14(18(3)16-11)17(2)10-12-7-5-4-6-8-12/h4-8H,10H2,1-3H3.
What are the key properties of 5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63751974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).