6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile

C18H16ClN5 — CID 133416856

IUPAC6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile
SMILESCC(Nc1ccc(Cl)c(C#N)n1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H16ClN5/c1-13(22-18-8-7-16(19)17(9-20)23-18)15-10-21-24(12-15)11-14-5-3-2-4-6-14/h2-8,10,12-13H,11H2,1H3,(H,22,23)
InChIKeyQEYZPVRLKFEKAM-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.02
Rot. Bonds5

About 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile

6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile (PubChem CID 133416856) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile
PubChem CID133416856
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC Name6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile
SMILESCC(Nc1ccc(Cl)c(C#N)n1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H16ClN5/c1-13(22-18-8-7-16(19)17(9-20)23-18)15-10-21-24(12-15)11-14-5-3-2-4-6-14/h2-8,10,12-13H,11H2,1H3,(H,22,23)
InChIKeyQEYZPVRLKFEKAM-UHFFFAOYSA-N
XLogP4.02
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile
CID 133333173
N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine
CID 133416847
6-[1-[benzyl(methyl)amino]propan-2-ylamino]-3-chloropyridine-2-carbonitrile
CID 133435878
N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133416862
3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile
CID 103467281
2-amino-2-(1-benzylpyrazol-4-yl)acetonitrile
CID 130847177
N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine
CID 133416813
1-[(1-benzylpyrazol-4-yl)methyl]-3-[1-(4-cyanophenyl)ethyl]urea
CID 86996888
(1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine
CID 97108308
N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 62729600
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133416851

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile?
The IUPAC name of 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile (CID 133416856) is 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile.
What is the SMILES notation for 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile?
The canonical SMILES for 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile is CC(Nc1ccc(Cl)c(C#N)n1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile?
The InChIKey is QEYZPVRLKFEKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5/c1-13(22-18-8-7-16(19)17(9-20)23-18)15-10-21-24(12-15)11-14-5-3-2-4-6-14/h2-8,10,12-13H,11H2,1H3,(H,22,23).
What are the key properties of 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile?
6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile has a molecular weight of 337.81 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile is sourced from PubChem (CID 133416856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).