5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide

C21H21FN4O2 — CID 110299569

IUPAC5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2N2CCOCC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c1-25-20(15-6-8-16(22)9-7-15)14-18(24-25)21(27)23-17-4-2-3-5-19(17)26-10-12-28-13-11-26/h2-9,14H,10-13H2,1H3,(H,23,27)
InChIKeyVIWCKXRJDYXQGL-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.32
Rot. Bonds4

About 5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide

5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide (PubChem CID 110299569) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
PubChem CID110299569
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2N2CCOCC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c1-25-20(15-6-8-16(22)9-7-15)14-18(24-25)21(27)23-17-4-2-3-5-19(17)26-10-12-28-13-11-26/h2-9,14H,10-13H2,1H3,(H,23,27)
InChIKeyVIWCKXRJDYXQGL-UHFFFAOYSA-N
XLogP3.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110425327
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261816
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109128495
6-fluoro-N-(2-morpholin-4-ylphenyl)-1H-indole-3-carboxamide
CID 113206299
1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid
CID 112710654
5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113204648
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299441

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide (CID 110299569) is 5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccccc2N2CCOCC2)cc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is VIWCKXRJDYXQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-25-20(15-6-8-16(22)9-7-15)14-18(24-25)21(27)23-17-4-2-3-5-19(17)26-10-12-28-13-11-26/h2-9,14H,10-13H2,1H3,(H,23,27).
What are the key properties of 5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110299569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).