4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide

C23H25ClN4O3 — CID 19341922

IUPAC4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)c2ccc(COc3cccc(Cl)c3)cc2)cnn1C
InChIInChI=1S/C23H25ClN4O3/c1-15(2)12-25-23(30)21-20(13-26-28(21)3)27-22(29)17-9-7-16(8-10-17)14-31-19-6-4-5-18(24)11-19/h4-11,13,15H,12,14H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyXKOAPTPSRORSBM-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.29
Rot. Bonds8

About 4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide

4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 19341922) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID19341922
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)c2ccc(COc3cccc(Cl)c3)cc2)cnn1C
InChIInChI=1S/C23H25ClN4O3/c1-15(2)12-25-23(30)21-20(13-26-28(21)3)27-22(29)17-9-7-16(8-10-17)14-31-19-6-4-5-18(24)11-19/h4-11,13,15H,12,14H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyXKOAPTPSRORSBM-UHFFFAOYSA-N
XLogP4.29
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341823
4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394370
4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19342029
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396247
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176390
4-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292411
4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246
4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408613
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19408605
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341944
4-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 17024099

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (CID 19341922) is 4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)CNC(=O)c1c(NC(=O)c2ccc(COc3cccc(Cl)c3)cc2)cnn1C.
What is the InChIKey of 4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is XKOAPTPSRORSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-15(2)12-25-23(30)21-20(13-26-28(21)3)27-22(29)17-9-7-16(8-10-17)14-31-19-6-4-5-18(24)11-19/h4-11,13,15H,12,14H2,1-3H3,(H,25,30)(H,27,29).
What are the key properties of 4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19341922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).