4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide

C16H22N4O — CID 66124561

IUPAC4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2c(N)c(C)nn2C)c(C)c1
InChIInChI=1S/C16H22N4O/c1-10-6-7-13(11(2)8-10)9-19(4)16(21)15-14(17)12(3)18-20(15)5/h6-8H,9,17H2,1-5H3
InChIKeyNQOWBWLIMPIVBM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.20
Rot. Bonds3

About 4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide

4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide (PubChem CID 66124561) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
PubChem CID66124561
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2c(N)c(C)nn2C)c(C)c1
InChIInChI=1S/C16H22N4O/c1-10-6-7-13(11(2)8-10)9-19(4)16(21)15-14(17)12(3)18-20(15)5/h6-8H,9,17H2,1-5H3
InChIKeyNQOWBWLIMPIVBM-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-1,3-dimethyl-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 66123231
4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55161300
4-amino-N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide
CID 66123007
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate
CID 66121833
4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide
CID 66122221
4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66117175
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
CID 66125622
5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18117131
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66124185
(4-fluoro-2-methylphenyl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 114348589

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide (CID 66124561) is 4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide is Cc1ccc(CN(C)C(=O)c2c(N)c(C)nn2C)c(C)c1.
What is the InChIKey of 4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide?
The InChIKey is NQOWBWLIMPIVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-6-7-13(11(2)8-10)9-19(4)16(21)15-14(17)12(3)18-20(15)5/h6-8H,9,17H2,1-5H3.
What are the key properties of 4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide?
4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.20, 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)methyl]-N,1,3-trimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66124561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).