4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide

C15H21N5O — CID 115375824

IUPAC4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(N)c(C)nn2C)cc1N(C)C
InChIInChI=1S/C15H21N5O/c1-9-6-7-11(8-12(9)19(3)4)17-15(21)14-13(16)10(2)18-20(14)5/h6-8H,16H2,1-5H3,(H,17,21)
InChIKeyXASRPTSQPDRFDQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.94
Rot. Bonds3

About 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 115375824) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID115375824
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(N)c(C)nn2C)cc1N(C)C
InChIInChI=1S/C15H21N5O/c1-9-6-7-11(8-12(9)19(3)4)17-15(21)14-13(16)10(2)18-20(14)5/h6-8H,16H2,1-5H3,(H,17,21)
InChIKeyXASRPTSQPDRFDQ-UHFFFAOYSA-N
XLogP1.94
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107618406
4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121059
4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107620701
4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79048774
4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124198
2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115375793
4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124203
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 115375786
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide
CID 115375794
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121252
4-amino-N-(4-chloro-2-iodophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107624168

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide (CID 115375824) is 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide is Cc1ccc(NC(=O)c2c(N)c(C)nn2C)cc1N(C)C.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is XASRPTSQPDRFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9-6-7-11(8-12(9)19(3)4)17-15(21)14-13(16)10(2)18-20(14)5/h6-8H,16H2,1-5H3,(H,17,21).
What are the key properties of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 115375824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).