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

C14H18N4O — CID 65354141

IUPAC4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2nn(C)cc2N)c1
InChIInChI=1S/C14H18N4O/c1-9-5-10(2)7-11(6-9)18(4)14(19)13-12(15)8-17(3)16-13/h5-8H,15H2,1-4H3
InChIKeyDSTURJVXPFSHNO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.90
Rot. Bonds2

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

4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 65354141) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide
PubChem CID65354141
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2nn(C)cc2N)c1
InChIInChI=1S/C14H18N4O/c1-9-5-10(2)7-11(6-9)18(4)14(19)13-12(15)8-17(3)16-13/h5-8H,15H2,1-4H3
InChIKeyDSTURJVXPFSHNO-UHFFFAOYSA-N
XLogP1.90
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-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-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide (CID 65354141) is 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide is Cc1cc(C)cc(N(C)C(=O)c2nn(C)cc2N)c1.
What is the InChIKey of 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is DSTURJVXPFSHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-5-10(2)7-11(6-9)18(4)14(19)13-12(15)8-17(3)16-13/h5-8H,15H2,1-4H3.
What are the key properties of 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide?
4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 65354141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).