1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide

C21H21ClN4O2 — CID 49159995

IUPAC1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C21H21ClN4O2/c1-15-12-17(25-8-10-28-11-9-25)6-7-19(15)24-21(27)16-13-23-26(14-16)20-5-3-2-4-18(20)22/h2-7,12-14H,8-11H2,1H3,(H,24,27)
InChIKeyHTPPOCRUIRDVRT-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.92
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide

1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide (PubChem CID 49159995) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide
PubChem CID49159995
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C21H21ClN4O2/c1-15-12-17(25-8-10-28-11-9-25)6-7-19(15)24-21(27)16-13-23-26(14-16)20-5-3-2-4-18(20)22/h2-7,12-14H,8-11H2,1H3,(H,24,27)
InChIKeyHTPPOCRUIRDVRT-UHFFFAOYSA-N
XLogP3.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 49163632
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide
CID 55773781
1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 112839574
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
CID 154773651
N-(2-methylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228626
1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide
CID 46669244
N-(2,4-dimorpholin-4-ylphenyl)-6-methylpyridine-3-carboxamide
CID 18149073
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide
CID 39267184
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methylbenzamide
CID 110362732

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide (CID 49159995) is 1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide is Cc1cc(N2CCOCC2)ccc1NC(=O)c1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is HTPPOCRUIRDVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-15-12-17(25-8-10-28-11-9-25)6-7-19(15)24-21(27)16-13-23-26(14-16)20-5-3-2-4-18(20)22/h2-7,12-14H,8-11H2,1H3,(H,24,27).
What are the key properties of 1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 49159995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).