1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile

C15H18N4 — CID 63756642

IUPAC1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile
SMILESCc1cccc(CCNc2c(C#N)c(C)nn2C)c1
InChIInChI=1S/C15H18N4/c1-11-5-4-6-13(9-11)7-8-17-15-14(10-16)12(2)18-19(15)3/h4-6,9,17H,7-8H2,1-3H3
InChIKeyHSOOYZKUZHITCC-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.56
Rot. Bonds4

About 1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile (PubChem CID 63756642) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile
PubChem CID63756642
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile
SMILESCc1cccc(CCNc2c(C#N)c(C)nn2C)c1
InChIInChI=1S/C15H18N4/c1-11-5-4-6-13(9-11)7-8-17-15-14(10-16)12(2)18-19(15)3/h4-6,9,17H,7-8H2,1-3H3
InChIKeyHSOOYZKUZHITCC-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 114153886
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
3-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]benzoic acid
CID 63757309
1,3-dimethyl-5-[(3-nitrophenyl)methylamino]pyrazole-4-carbonitrile
CID 63757170
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757321
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoic acid
CID 63756960
1,3-dimethyl-5-(2-methylsulfonylethylamino)pyrazole-4-carbonitrile
CID 63758017
4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile
CID 62313204
5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63756975
5-[4-(dimethylamino)butylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63758377
1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile
CID 63758719

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile (CID 63756642) is 1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile is Cc1cccc(CCNc2c(C#N)c(C)nn2C)c1.
What is the InChIKey of 1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile?
The InChIKey is HSOOYZKUZHITCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-5-4-6-13(9-11)7-8-17-15-14(10-16)12(2)18-19(15)3/h4-6,9,17H,7-8H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile is sourced from PubChem (CID 63756642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).