1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide

C24H27ClN4O3 — CID 43045112

IUPAC1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cnn(Cc3ccccc3Cl)c2)N2CCOCC2)cc1
InChIInChI=1S/C24H27ClN4O3/c1-31-21-8-6-18(7-9-21)23(28-10-12-32-13-11-28)15-26-24(30)20-14-27-29(17-20)16-19-4-2-3-5-22(19)25/h2-9,14,17,23H,10-13,15-16H2,1H3,(H,26,30)
InChIKeyBZJVTHRBURFAPJ-UHFFFAOYSA-N
MW454.96 g/mol
LogP3.40
Rot. Bonds8

About 1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide (PubChem CID 43045112) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
PubChem CID43045112
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cnn(Cc3ccccc3Cl)c2)N2CCOCC2)cc1
InChIInChI=1S/C24H27ClN4O3/c1-31-21-8-6-18(7-9-21)23(28-10-12-32-13-11-28)15-26-24(30)20-14-27-29(17-20)16-19-4-2-3-5-22(19)25/h2-9,14,17,23H,10-13,15-16H2,1H3,(H,26,30)
InChIKeyBZJVTHRBURFAPJ-UHFFFAOYSA-N
XLogP3.40
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 31909068
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide
CID 18161482
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
CID 95343423
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 124732897
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835377
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 7496625
N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835275
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide (CID 43045112) is 1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide is COc1ccc(C(CNC(=O)c2cnn(Cc3ccccc3Cl)c2)N2CCOCC2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide?
The InChIKey is BZJVTHRBURFAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-31-21-8-6-18(7-9-21)23(28-10-12-32-13-11-28)15-26-24(30)20-14-27-29(17-20)16-19-4-2-3-5-22(19)25/h2-9,14,17,23H,10-13,15-16H2,1H3,(H,26,30).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide has a molecular weight of 454.96 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 43045112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).