2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile

C15H18N4 — CID 112669631

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
SMILESCCc1nn(C)cc1C(C#N)Nc1ccccc1C
InChIInChI=1S/C15H18N4/c1-4-13-12(10-19(3)18-13)15(9-16)17-14-8-6-5-7-11(14)2/h5-8,10,15,17H,4H2,1-3H3
InChIKeyPDYZJTCVITZEBF-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.97
Rot. Bonds4

About 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile

2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile (PubChem CID 112669631) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
PubChem CID112669631
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
SMILESCCc1nn(C)cc1C(C#N)Nc1ccccc1C
InChIInChI=1S/C15H18N4/c1-4-13-12(10-19(3)18-13)15(9-16)17-14-8-6-5-7-11(14)2/h5-8,10,15,17H,4H2,1-3H3
InChIKeyPDYZJTCVITZEBF-UHFFFAOYSA-N
XLogP2.97
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
CID 83091019
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 115990144
2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile
CID 112669629
N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine
CID 102812013
2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54886939
2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
CID 115990145
2-isoquinolin-4-yl-2-(2-methylanilino)acetonitrile
CID 104504207
N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669529
2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile
CID 112671490
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 114843485
ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 83091037
(2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile
CID 100954414

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile (CID 112669631) is 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile is CCc1nn(C)cc1C(C#N)Nc1ccccc1C.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile?
The InChIKey is PDYZJTCVITZEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-4-13-12(10-19(3)18-13)15(9-16)17-14-8-6-5-7-11(14)2/h5-8,10,15,17H,4H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile?
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile is sourced from PubChem (CID 112669631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).