2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile

C14H25N5 — CID 54889303

IUPAC2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile
SMILESCCN(CC)CCNC(C#N)c1c(C)nn(C)c1C
InChIInChI=1S/C14H25N5/c1-6-19(7-2)9-8-16-13(10-15)14-11(3)17-18(5)12(14)4/h13,16H,6-9H2,1-5H3
InChIKeyZHAQWYZMRRENNH-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.53
Rot. Bonds7

About 2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile

2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile (PubChem CID 54889303) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile
PubChem CID54889303
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile
SMILESCCN(CC)CCNC(C#N)c1c(C)nn(C)c1C
InChIInChI=1S/C14H25N5/c1-6-19(7-2)9-8-16-13(10-15)14-11(3)17-18(5)12(14)4/h13,16H,6-9H2,1-5H3
InChIKeyZHAQWYZMRRENNH-UHFFFAOYSA-N
XLogP1.53
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
CID 54889234
2-(4-bromothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetonitrile
CID 61347182
2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889345
2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile
CID 66140038
2-(4-methoxyanilino)-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile
CID 60988173
3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile
CID 55101844
2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889441
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107094110
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
CID 61005956
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937329
N-[2,2-difluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 80604939

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile (CID 54889303) is 2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile is CCN(CC)CCNC(C#N)c1c(C)nn(C)c1C.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile?
The InChIKey is ZHAQWYZMRRENNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-6-19(7-2)9-8-16-13(10-15)14-11(3)17-18(5)12(14)4/h13,16H,6-9H2,1-5H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile?
2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile has a molecular weight of 263.39 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile is sourced from PubChem (CID 54889303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).