4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

C16H22N4O — CID 66117175

IUPAC4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)c2ccc(C)cc2C)c1N
InChIInChI=1S/C16H22N4O/c1-6-12-14(17)15(20(5)18-12)16(21)19(4)13-8-7-10(2)9-11(13)3/h7-9H,6,17H2,1-5H3
InChIKeyFDGDAKDWSLUXBW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.46
Rot. Bonds3

About 4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 66117175) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID66117175
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)c2ccc(C)cc2C)c1N
InChIInChI=1S/C16H22N4O/c1-6-12-14(17)15(20(5)18-12)16(21)19(4)13-8-7-10(2)9-11(13)3/h7-9H,6,17H2,1-5H3
InChIKeyFDGDAKDWSLUXBW-UHFFFAOYSA-N
XLogP2.46
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (CID 66117175) is 4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(C)c2ccc(C)cc2C)c1N.
What is the InChIKey of 4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is FDGDAKDWSLUXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-6-12-14(17)15(20(5)18-12)16(21)19(4)13-8-7-10(2)9-11(13)3/h7-9H,6,17H2,1-5H3.
What are the key properties of 4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66117175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).