4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile

C15H19N5 — CID 82702709

IUPAC4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCc1nn(-c2cc(C)nc(C)c2C#N)c(CC)c1N
InChIInChI=1S/C15H19N5/c1-5-12-15(17)13(6-2)20(19-12)14-7-9(3)18-10(4)11(14)8-16/h7H,5-6,17H2,1-4H3
InChIKeyAFKRVSJMQJCLOJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.46
Rot. Bonds3

About 4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile

4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 82702709) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID82702709
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCc1nn(-c2cc(C)nc(C)c2C#N)c(CC)c1N
InChIInChI=1S/C15H19N5/c1-5-12-15(17)13(6-2)20(19-12)14-7-9(3)18-10(4)11(14)8-16/h7H,5-6,17H2,1-4H3
InChIKeyAFKRVSJMQJCLOJ-UHFFFAOYSA-N
XLogP2.46
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 82703182
4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile
CID 81060210
4-(4,5-dimethylimidazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81060395
5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazole-4-carbonitrile
CID 79822246
4-(3-hydroxy-3-propylazetidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81052189
4-[ethyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060716
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile
CID 103174694
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81060475
4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 81052251
5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795345
3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine
CID 82692897
2-(4-amino-3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175455

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile (CID 82702709) is 4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile is CCc1nn(-c2cc(C)nc(C)c2C#N)c(CC)c1N.
What is the InChIKey of 4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is AFKRVSJMQJCLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-5-12-15(17)13(6-2)20(19-12)14-7-9(3)18-10(4)11(14)8-16/h7H,5-6,17H2,1-4H3.
What are the key properties of 4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile?
4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 82702709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).