N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C15H19N3O3 — CID 36763541

IUPACN-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C15H19N3O3/c1-9-14(10(2)18(3)17-9)15(19)16-11-6-7-12(20-4)13(8-11)21-5/h6-8H,1-5H3,(H,16,19)
InChIKeySGANZGSYAWYXTO-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.31
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 36763541) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID36763541
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C15H19N3O3/c1-9-14(10(2)18(3)17-9)15(19)16-11-6-7-12(20-4)13(8-11)21-5/h6-8H,1-5H3,(H,16,19)
InChIKeySGANZGSYAWYXTO-UHFFFAOYSA-N
XLogP2.31
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 10734263
N-(3,4-dimethoxyphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621214
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17439489
2-fluoro-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 103791455
N-(4-ethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281528
N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104849120
3-(3,4-dimethoxyphenyl)-1-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53029162
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742269

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 36763541) is N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is SGANZGSYAWYXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-14(10(2)18(3)17-9)15(19)16-11-6-7-12(20-4)13(8-11)21-5/h6-8H,1-5H3,(H,16,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 36763541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).