3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile

C12H13N5 — CID 114287753

IUPAC3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile
SMILESCn1cc(CCNc2cnccc2C#N)cn1
InChIInChI=1S/C12H13N5/c1-17-9-10(7-16-17)2-5-15-12-8-14-4-3-11(12)6-13/h3-4,7-9,15H,2,5H2,1H3
InChIKeyYIEYADKWPPRPCC-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.34
Rot. Bonds4

About 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile

3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile (PubChem CID 114287753) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile
PubChem CID114287753
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile
SMILESCn1cc(CCNc2cnccc2C#N)cn1
InChIInChI=1S/C12H13N5/c1-17-9-10(7-16-17)2-5-15-12-8-14-4-3-11(12)6-13/h3-4,7-9,15H,2,5H2,1H3
InChIKeyYIEYADKWPPRPCC-UHFFFAOYSA-N
XLogP1.34
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[2-(1-methylpyrazol-4-yl)ethyl]isoquinoline-5,8-diamine
CID 80680760
2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile
CID 107544896
4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 80681842
5-chloro-2-[3-(1-methylpyrazol-4-yl)propylamino]benzonitrile
CID 133286162
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 81060304
4-[2-(1-methylpyrazol-4-yl)ethylamino]quinoline-3-carbonitrile
CID 80684252
3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 104540597
3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
CID 114287626
3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
CID 115360433
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81234341
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
CID 83030587

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile (CID 114287753) is 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile is Cn1cc(CCNc2cnccc2C#N)cn1.
What is the InChIKey of 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is YIEYADKWPPRPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-17-9-10(7-16-17)2-5-15-12-8-14-4-3-11(12)6-13/h3-4,7-9,15H,2,5H2,1H3.
What are the key properties of 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile?
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 114287753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).