1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide

C23H26N4O4 — CID 19339871

IUPAC1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2cccc(COc3ccccc3OC)c2)c1C(=O)N(C)C
InChIInChI=1S/C23H26N4O4/c1-5-27-21(23(29)26(2)3)18(14-24-27)25-22(28)17-10-8-9-16(13-17)15-31-20-12-7-6-11-19(20)30-4/h6-14H,5,15H2,1-4H3,(H,25,28)
InChIKeyXQTYIHGJWZNUKI-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.44
Rot. Bonds8

About 1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide

1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide (PubChem CID 19339871) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide
PubChem CID19339871
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2cccc(COc3ccccc3OC)c2)c1C(=O)N(C)C
InChIInChI=1S/C23H26N4O4/c1-5-27-21(23(29)26(2)3)18(14-24-27)25-22(28)17-10-8-9-16(13-17)15-31-20-12-7-6-11-19(20)30-4/h6-14H,5,15H2,1-4H3,(H,25,28)
InChIKeyXQTYIHGJWZNUKI-UHFFFAOYSA-N
XLogP3.44
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-[(2,4-dimethylphenoxy)methyl]benzoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19339733
3-[(2-methoxyphenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340742
4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19453358
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(2-methoxyphenoxy)methyl]-N-methylbenzamide
CID 19453949
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(2,3-dichlorophenoxy)methyl]benzamide
CID 19296844
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19339113
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19338889
methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19584630
3-[(2-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346822
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
N-[3-(4-chloropyrazol-1-yl)propyl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19330280

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide (CID 19339871) is 1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)c2cccc(COc3ccccc3OC)c2)c1C(=O)N(C)C.
What is the InChIKey of 1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide?
The InChIKey is XQTYIHGJWZNUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-5-27-21(23(29)26(2)3)18(14-24-27)25-22(28)17-10-8-9-16(13-17)15-31-20-12-7-6-11-19(20)30-4/h6-14H,5,15H2,1-4H3,(H,25,28).
What are the key properties of 1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide?
1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19339871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).