2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile

C12H11BrN4 — CID 107275952

IUPAC2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile
SMILESCCn1cc(Nc2ccc(C#N)c(Br)c2)cn1
InChIInChI=1S/C12H11BrN4/c1-2-17-8-11(7-15-17)16-10-4-3-9(6-14)12(13)5-10/h3-5,7-8,16H,2H2,1H3
InChIKeyHTVMZONURZLWGJ-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.28
Rot. Bonds3

About 2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile

2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile (PubChem CID 107275952) has the molecular formula C12H11BrN4 and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile
PubChem CID107275952
Molecular FormulaC12H11BrN4
Molecular Weight291.15 g/mol
Exact Mass290.02
IUPAC Name2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile
SMILESCCn1cc(Nc2ccc(C#N)c(Br)c2)cn1
InChIInChI=1S/C12H11BrN4/c1-2-17-8-11(7-15-17)16-10-4-3-9(6-14)12(13)5-10/h3-5,7-8,16H,2H2,1H3
InChIKeyHTVMZONURZLWGJ-UHFFFAOYSA-N
XLogP3.28
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-(4-ethylanilino)benzonitrile
CID 107275838
2-bromo-4-(3,5-dimethoxyanilino)benzonitrile
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2-bromo-4-(3-ethoxyanilino)benzonitrile
CID 107276122
4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide
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2-bromo-4-(1-pyrazol-1-ylpropan-2-ylamino)benzonitrile
CID 107276062
1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
CID 63671776
5-bromo-2-[(1-ethylpyrazol-4-yl)methylamino]benzonitrile
CID 82708679
N,1-diethylpyrazol-4-amine
CID 43543394
2-bromo-4-(2-ethylbutylamino)benzonitrile
CID 107276756
4-(3-bromo-4-cyanoanilino)benzoic acid
CID 107275336
2-bromo-4-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]benzonitrile
CID 112736248
2-bromo-4-(2-bromoanilino)benzonitrile
CID 107275827

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile?
The IUPAC name of 2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile (CID 107275952) is 2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile.
What is the SMILES notation for 2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile?
The canonical SMILES for 2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile is CCn1cc(Nc2ccc(C#N)c(Br)c2)cn1.
What is the InChIKey of 2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile?
The InChIKey is HTVMZONURZLWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4/c1-2-17-8-11(7-15-17)16-10-4-3-9(6-14)12(13)5-10/h3-5,7-8,16H,2H2,1H3.
What are the key properties of 2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile?
2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile has a molecular weight of 291.15 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile is sourced from PubChem (CID 107275952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).