2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile

C9H14N4 — CID 79584724

IUPAC2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile
SMILESCCNC(C#N)c1cnn(C)c1C
InChIInChI=1S/C9H14N4/c1-4-11-9(5-10)8-6-12-13(3)7(8)2/h6,9,11H,4H2,1-3H3
InChIKeyMUVJYEMOTRITFG-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.90
Rot. Bonds3

About 2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile

2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile (PubChem CID 79584724) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile
PubChem CID79584724
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile
SMILESCCNC(C#N)c1cnn(C)c1C
InChIInChI=1S/C9H14N4/c1-4-11-9(5-10)8-6-12-13(3)7(8)2/h6,9,11H,4H2,1-3H3
InChIKeyMUVJYEMOTRITFG-UHFFFAOYSA-N
XLogP0.90
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile
CID 79583604
2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
CID 79584630
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 105083312
2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetonitrile
CID 43115049
3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanenitrile
CID 171871617
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 105177141
2-(azepan-1-yl)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
CID 79583925
ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate
CID 79595467
1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine
CID 115970494
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152645
N-[(5-bromo-3-methyltriazol-4-yl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 106465382
2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile
CID 79583834

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile (CID 79584724) is 2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile is CCNC(C#N)c1cnn(C)c1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile?
The InChIKey is MUVJYEMOTRITFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-11-9(5-10)8-6-12-13(3)7(8)2/h6,9,11H,4H2,1-3H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile?
2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile has a molecular weight of 178.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile is sourced from PubChem (CID 79584724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).