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

C22H24N4O3 — CID 19410615

IUPAC4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1cccc(COc2cc(C)ccc2C)c1
InChIInChI=1S/C22H24N4O3/c1-14-8-9-15(2)19(10-14)29-13-16-6-5-7-17(11-16)21(27)24-18-12-26(4)25-20(18)22(28)23-3/h5-12H,13H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyOBEJLMJOWWKHSX-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.23
Rot. Bonds6

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

4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19410615) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19410615
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1cccc(COc2cc(C)ccc2C)c1
InChIInChI=1S/C22H24N4O3/c1-14-8-9-15(2)19(10-14)29-13-16-6-5-7-17(11-16)21(27)24-18-12-26(4)25-20(18)22(28)23-3/h5-12H,13H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyOBEJLMJOWWKHSX-UHFFFAOYSA-N
XLogP3.23
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-[(4-chloro-2-methylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19409020
4-[[3-[(4-bromophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408944
N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19408995
3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400976
N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19286281
1-ethyl-4-[[3-[(4-methyl-2-nitrophenoxy)methyl]benzoyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398503
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19407721
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19337742
4-[[3-[(2,3-dichlorophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400530
propan-2-yl 4-[[3-[(2,4-dimethylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404509
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19402779
3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290692

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide (CID 19410615) is 4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1cccc(COc2cc(C)ccc2C)c1.
What is the InChIKey of 4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is OBEJLMJOWWKHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-8-9-15(2)19(10-14)29-13-16-6-5-7-17(11-16)21(27)24-18-12-26(4)25-20(18)22(28)23-3/h5-12H,13H2,1-4H3,(H,23,28)(H,24,27).
What are the key properties of 4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2,5-dimethylphenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19410615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).