5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile

C14H17N5 — CID 102795574

IUPAC5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile
SMILESCCN(C)c1nn(-c2cccc(C)c2)c(N)c1C#N
InChIInChI=1S/C14H17N5/c1-4-18(3)14-12(9-15)13(16)19(17-14)11-7-5-6-10(2)8-11/h5-8H,4,16H2,1-3H3
InChIKeyADKPNKAXKDEVIH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.09
Rot. Bonds3

About 5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile

5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile (PubChem CID 102795574) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile
PubChem CID102795574
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile
SMILESCCN(C)c1nn(-c2cccc(C)c2)c(N)c1C#N
InChIInChI=1S/C14H17N5/c1-4-18(3)14-12(9-15)13(16)19(17-14)11-7-5-6-10(2)8-11/h5-8H,4,16H2,1-3H3
InChIKeyADKPNKAXKDEVIH-UHFFFAOYSA-N
XLogP2.09
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-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

5-amino-1-(3,4-dichlorophenyl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
CID 102795386
5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 103294118
5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
CID 102796779
5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 102795569
5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
CID 102796709
5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 102795550
5-amino-3-(dimethylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carbonitrile
CID 102809020
5-amino-3-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)pyrazole-4-carbonitrile
CID 22309881
ethyl 5-amino-1-(3-bromophenyl)-4-cyanopyrazole-3-carboxylate
CID 46739210
3-N-ethyl-1-(3-fluorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826146
3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102826149
5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine
CID 83864052

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile (CID 102795574) is 5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile is CCN(C)c1nn(-c2cccc(C)c2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile?
The InChIKey is ADKPNKAXKDEVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-4-18(3)14-12(9-15)13(16)19(17-14)11-7-5-6-10(2)8-11/h5-8H,4,16H2,1-3H3.
What are the key properties of 5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile?
5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).