2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile

C15H18N4S — CID 107463239

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile
SMILESCCSc1cccc(Nc2cn(C)nc2CC)c1C#N
InChIInChI=1S/C15H18N4S/c1-4-12-14(10-19(3)18-12)17-13-7-6-8-15(20-5-2)11(13)9-16/h6-8,10,17H,4-5H2,1-3H3
InChIKeyRKPLITFYOLWUJJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.71
Rot. Bonds5

About 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile

2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile (PubChem CID 107463239) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile
PubChem CID107463239
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile
SMILESCCSc1cccc(Nc2cn(C)nc2CC)c1C#N
InChIInChI=1S/C15H18N4S/c1-4-12-14(10-19(3)18-12)17-13-7-6-8-15(20-5-2)11(13)9-16/h6-8,10,17H,4-5H2,1-3H3
InChIKeyRKPLITFYOLWUJJ-UHFFFAOYSA-N
XLogP3.71
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylsulfanylbenzonitrile
CID 107463227
2-ethylsulfanyl-6-[(1-methylpyrazol-4-yl)amino]benzonitrile
CID 113385503
2-ethylsulfanyl-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 106105144
2-ethylsulfanyl-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzonitrile
CID 106246025
3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 103908152
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridin-2-amine
CID 107463689
2-(4-bromo-3-chloroanilino)-6-ethylsulfanylbenzonitrile
CID 107620387
2-ethylsulfanyl-6-(2H-tetrazol-5-ylmethylamino)benzonitrile
CID 113385947
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile
CID 107462882
2-ethylsulfanyl-6-(pyrrolidin-3-ylamino)benzonitrile
CID 113385998
6-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)pyridin-2-amine
CID 107464291
2-bromo-6-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenecarbothioamide
CID 107463322

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile (CID 107463239) is 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile is CCSc1cccc(Nc2cn(C)nc2CC)c1C#N.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile?
The InChIKey is RKPLITFYOLWUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-4-12-14(10-19(3)18-12)17-13-7-6-8-15(20-5-2)11(13)9-16/h6-8,10,17H,4-5H2,1-3H3.
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile?
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile has a molecular weight of 286.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile is sourced from PubChem (CID 107463239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).