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

C13H15N5 — CID 66012800

IUPAC3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile
SMILESCCn1nc(C)c(N)c1Nc1cccc(C#N)c1
InChIInChI=1S/C13H15N5/c1-3-18-13(12(15)9(2)17-18)16-11-6-4-5-10(7-11)8-14/h4-7,16H,3,15H2,1-2H3
InChIKeyWODILZSVONYSMV-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.41
Rot. Bonds3

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

3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile (PubChem CID 66012800) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile
PubChem CID66012800
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile
SMILESCCn1nc(C)c(N)c1Nc1cccc(C#N)c1
InChIInChI=1S/C13H15N5/c1-3-18-13(12(15)9(2)17-18)16-11-6-4-5-10(7-11)8-14/h4-7,16H,3,15H2,1-2H3
InChIKeyWODILZSVONYSMV-UHFFFAOYSA-N
XLogP2.41
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile?
The IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile (CID 66012800) is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile.
What is the SMILES notation for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile?
The canonical SMILES for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile is CCn1nc(C)c(N)c1Nc1cccc(C#N)c1.
What is the InChIKey of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile?
The InChIKey is WODILZSVONYSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-3-18-13(12(15)9(2)17-18)16-11-6-4-5-10(7-11)8-14/h4-7,16H,3,15H2,1-2H3.
What are the key properties of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile?
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile has a molecular weight of 241.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile is sourced from PubChem (CID 66012800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).