1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide

C22H25N3O2 — CID 29219521

IUPAC1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C22H25N3O2/c1-16-21(17(2)25(23-16)15-18-8-6-5-7-9-18)22(26)24(3)14-19-10-12-20(27-4)13-11-19/h5-13H,14-15H2,1-4H3
InChIKeyPTCHPJFXIISONN-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.83
Rot. Bonds6

About 1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide

1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 29219521) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide
PubChem CID29219521
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C22H25N3O2/c1-16-21(17(2)25(23-16)15-18-8-6-5-7-9-18)22(26)24(3)14-19-10-12-20(27-4)13-11-19/h5-13H,14-15H2,1-4H3
InChIKeyPTCHPJFXIISONN-UHFFFAOYSA-N
XLogP3.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-chloro-N-[(4-cyanophenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 39858414
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
methyl 5-[[(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484085
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
CID 2548210
1-[(2-chlorophenyl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]-N,3,5-trimethylpyrazole-4-carboxamide
CID 35591804
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102
5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 31240354
4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)-methylamino]methyl]benzoic acid
CID 75497734
N-(4-methoxyphenyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9042194
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 51326943
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 7560985

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide (CID 29219521) is 1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide is COc1ccc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1.
What is the InChIKey of 1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is PTCHPJFXIISONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-21(17(2)25(23-16)15-18-8-6-5-7-9-18)22(26)24(3)14-19-10-12-20(27-4)13-11-19/h5-13H,14-15H2,1-4H3.
What are the key properties of 1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide?
1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 29219521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).