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

C21H21FN4O2 — CID 110425327

IUPAC1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N2CCOCC2)nn1-c1ccccc1F
InChIInChI=1S/C21H21FN4O2/c1-15-14-18(24-26(15)19-8-4-2-6-16(19)22)21(27)23-17-7-3-5-9-20(17)25-10-12-28-13-11-25/h2-9,14H,10-13H2,1H3,(H,23,27)
InChIKeyNDFIKWHQQCDBJT-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.41
Rot. Bonds4

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

1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide (PubChem CID 110425327) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
PubChem CID110425327
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N2CCOCC2)nn1-c1ccccc1F
InChIInChI=1S/C21H21FN4O2/c1-15-14-18(24-26(15)19-8-4-2-6-16(19)22)21(27)23-17-7-3-5-9-20(17)25-10-12-28-13-11-25/h2-9,14H,10-13H2,1H3,(H,23,27)
InChIKeyNDFIKWHQQCDBJT-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110299569
N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55756561
1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 167870149
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110426437
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109316472
6-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109124354
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 134008651
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide (CID 110425327) is 1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2N2CCOCC2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is NDFIKWHQQCDBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-15-14-18(24-26(15)19-8-4-2-6-16(19)22)21(27)23-17-7-3-5-9-20(17)25-10-12-28-13-11-25/h2-9,14H,10-13H2,1H3,(H,23,27).
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110425327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).