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

C24H27ClN4O4 — CID 19341823

IUPAC4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2cnn(C)c2C(=O)NCC(C)C)cc1COc1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN4O4/c1-15(2)12-26-24(31)22-20(13-27-29(22)3)28-23(30)16-5-10-21(32-4)17(11-16)14-33-19-8-6-18(25)7-9-19/h5-11,13,15H,12,14H2,1-4H3,(H,26,31)(H,28,30)
InChIKeyCUGLHVPIHJJZMO-UHFFFAOYSA-N
MW470.96 g/mol
LogP4.30
Rot. Bonds9

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

4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 19341823) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is 4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID19341823
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC Name4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2cnn(C)c2C(=O)NCC(C)C)cc1COc1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN4O4/c1-15(2)12-26-24(31)22-20(13-27-29(22)3)28-23(30)16-5-10-21(32-4)17(11-16)14-33-19-8-6-18(25)7-9-19/h5-11,13,15H,12,14H2,1-4H3,(H,26,31)(H,28,30)
InChIKeyCUGLHVPIHJJZMO-UHFFFAOYSA-N
XLogP4.30
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19336598
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341922
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19296430
4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19342029
3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328023
3-[(4-chlorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 19456362
3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide
CID 19467120
4-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396289
3-[(4-chlorophenoxy)methyl]-4-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458228
4-[[(E)-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396217
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19331299
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19325756

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (CID 19341823) is 4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is COc1ccc(C(=O)Nc2cnn(C)c2C(=O)NCC(C)C)cc1COc1ccc(Cl)cc1.
What is the InChIKey of 4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is CUGLHVPIHJJZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c1-15(2)12-26-24(31)22-20(13-27-29(22)3)28-23(30)16-5-10-21(32-4)17(11-16)14-33-19-8-6-18(25)7-9-19/h5-11,13,15H,12,14H2,1-4H3,(H,26,31)(H,28,30).
What are the key properties of 4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 470.96 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19341823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).