N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C15H19N3O2 — CID 106834916

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(C)nn(C)c2C)c(C)cc1O
InChIInChI=1S/C15H19N3O2/c1-8-7-13(19)9(2)6-12(8)16-15(20)14-10(3)17-18(5)11(14)4/h6-7,19H,1-5H3,(H,16,20)
InChIKeyDPRXMGDQEKADMA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.61
Rot. Bonds2

About N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 106834916) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID106834916
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(C)nn(C)c2C)c(C)cc1O
InChIInChI=1S/C15H19N3O2/c1-8-7-13(19)9(2)6-12(8)16-15(20)14-10(3)17-18(5)11(14)4/h6-7,19H,1-5H3,(H,16,20)
InChIKeyDPRXMGDQEKADMA-UHFFFAOYSA-N
XLogP2.61
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104757095
N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 113263016
4-methyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28742531
N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742902
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389
N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 106834710
N-(3,5-dichloro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 82884303
N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103753650
N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742326
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 19281483
5-chloro-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28548365

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 106834916) is N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1cc(NC(=O)c2c(C)nn(C)c2C)c(C)cc1O.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is DPRXMGDQEKADMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-8-7-13(19)9(2)6-12(8)16-15(20)14-10(3)17-18(5)11(14)4/h6-7,19H,1-5H3,(H,16,20).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 106834916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).