N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide

C22H25N3O3 — CID 34468319

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C22H25N3O3/c1-5-24(15-17-11-12-20(27-3)21(13-17)28-4)22(26)19-14-23-25(16(19)2)18-9-7-6-8-10-18/h6-14H,5,15H2,1-4H3
InChIKeyZATWFSUJRLJKFA-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.86
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 34468319) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID34468319
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C22H25N3O3/c1-5-24(15-17-11-12-20(27-3)21(13-17)28-4)22(26)19-14-23-25(16(19)2)18-9-7-6-8-10-18/h6-14H,5,15H2,1-4H3
InChIKeyZATWFSUJRLJKFA-UHFFFAOYSA-N
XLogP3.86
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119191202
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide
CID 31443168
5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 112817431
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18196785
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 27955256
N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39947866
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 17052353
N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 55521664
N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide
CID 48573492
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
CID 78808460
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24676961

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide (CID 34468319) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZATWFSUJRLJKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-5-24(15-17-11-12-20(27-3)21(13-17)28-4)22(26)19-14-23-25(16(19)2)18-9-7-6-8-10-18/h6-14H,5,15H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 34468319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).