5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile

C15H18N4O — CID 66197582

IUPAC5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCOc1ccc(C(C)Nc2c(C#N)c(C)nn2C)cc1
InChIInChI=1S/C15H18N4O/c1-10(12-5-7-13(20-4)8-6-12)17-15-14(9-16)11(2)18-19(15)3/h5-8,10,17H,1-4H3
InChIKeyVXECYYJQLBQZSW-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.78
Rot. Bonds4

About 5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile

5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 66197582) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID66197582
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCOc1ccc(C(C)Nc2c(C#N)c(C)nn2C)cc1
InChIInChI=1S/C15H18N4O/c1-10(12-5-7-13(20-4)8-6-12)17-15-14(9-16)11(2)18-19(15)3/h5-8,10,17H,1-4H3
InChIKeyVXECYYJQLBQZSW-UHFFFAOYSA-N
XLogP2.78
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile
CID 114159097
5-[1-(3-bromophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63756467
5-[1-(2-fluorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 55258792
3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66196027
5-[(2,4-dimethoxyphenyl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757687
5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazole-4-carbonitrile
CID 63752008
1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile
CID 63757848
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine
CID 39893090
1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile
CID 55243651
N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide
CID 126833875
ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate
CID 63758021
N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide
CID 17088867

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile (CID 66197582) is 5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile is COc1ccc(C(C)Nc2c(C#N)c(C)nn2C)cc1.
What is the InChIKey of 5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is VXECYYJQLBQZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(12-5-7-13(20-4)8-6-12)17-15-14(9-16)11(2)18-19(15)3/h5-8,10,17H,1-4H3.
What are the key properties of 5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 66197582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).