1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide

C22H23ClN4O2 — CID 49163632

IUPAC1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H23ClN4O2/c1-16(17-6-8-19(9-7-17)26-10-12-29-13-11-26)25-22(28)18-14-24-27(15-18)21-5-3-2-4-20(21)23/h2-9,14-16H,10-13H2,1H3,(H,25,28)
InChIKeyGCCOMEVBXHFHFN-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide

1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 49163632) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID49163632
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H23ClN4O2/c1-16(17-6-8-19(9-7-17)26-10-12-29-13-11-26)25-22(28)18-14-24-27(15-18)21-5-3-2-4-20(21)23/h2-9,14-16H,10-13H2,1H3,(H,25,28)
InChIKeyGCCOMEVBXHFHFN-UHFFFAOYSA-N
XLogP3.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 49159995
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 94813569
3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48663587
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48692579
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 46977369
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 52513898
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 75526443
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide (CID 49163632) is 1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide is CC(NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is GCCOMEVBXHFHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-16(17-6-8-19(9-7-17)26-10-12-29-13-11-26)25-22(28)18-14-24-27(15-18)21-5-3-2-4-20(21)23/h2-9,14-16H,10-13H2,1H3,(H,25,28).
What are the key properties of 1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 49163632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).