4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile

C14H16N4 — CID 43543489

IUPAC4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
SMILESCCn1cc(NC(C)c2ccc(C#N)cc2)cn1
InChIInChI=1S/C14H16N4/c1-3-18-10-14(9-16-18)17-11(2)13-6-4-12(8-15)5-7-13/h4-7,9-11,17H,3H2,1-2H3
InChIKeyPSZJJISUJJSRPC-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.95
Rot. Bonds4

About 4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile

4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile (PubChem CID 43543489) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
PubChem CID43543489
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
SMILESCCn1cc(NC(C)c2ccc(C#N)cc2)cn1
InChIInChI=1S/C14H16N4/c1-3-18-10-14(9-16-18)17-11(2)13-6-4-12(8-15)5-7-13/h4-7,9-11,17H,3H2,1-2H3
InChIKeyPSZJJISUJJSRPC-UHFFFAOYSA-N
XLogP2.95
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine
CID 43543267
N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine
CID 43543382
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine
CID 81472831
4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile
CID 60942779
4-[1-(1H-pyrazol-4-ylamino)ethyl]benzonitrile
CID 43540037
3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 43776942
4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60943308
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661
4-[1-(4-aminophenyl)ethylamino]benzonitrile
CID 60869452
4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
CID 43690575

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile (CID 43543489) is 4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile is CCn1cc(NC(C)c2ccc(C#N)cc2)cn1.
What is the InChIKey of 4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile?
The InChIKey is PSZJJISUJJSRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-3-18-10-14(9-16-18)17-11(2)13-6-4-12(8-15)5-7-13/h4-7,9-11,17H,3H2,1-2H3.
What are the key properties of 4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile?
4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile is sourced from PubChem (CID 43543489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).