4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile

C14H17N5 — CID 66014425

IUPAC4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile
SMILESCCc1nn(C)c(NCc2ccc(C#N)cc2)c1N
InChIInChI=1S/C14H17N5/c1-3-12-13(16)14(19(2)18-12)17-9-11-6-4-10(8-15)5-7-11/h4-7,17H,3,9,16H2,1-2H3
InChIKeyAXGPYDLCWGLIIE-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.05
Rot. Bonds4

About 4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile

4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile (PubChem CID 66014425) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile
PubChem CID66014425
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile
SMILESCCc1nn(C)c(NCc2ccc(C#N)cc2)c1N
InChIInChI=1S/C14H17N5/c1-3-12-13(16)14(19(2)18-12)17-9-11-6-4-10(8-15)5-7-11/h4-7,17H,3,9,16H2,1-2H3
InChIKeyAXGPYDLCWGLIIE-UHFFFAOYSA-N
XLogP2.05
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile (CID 66014425) is 4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile is CCc1nn(C)c(NCc2ccc(C#N)cc2)c1N.
What is the InChIKey of 4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile?
The InChIKey is AXGPYDLCWGLIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-3-12-13(16)14(19(2)18-12)17-9-11-6-4-10(8-15)5-7-11/h4-7,17H,3,9,16H2,1-2H3.
What are the key properties of 4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile?
4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 66014425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).