1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide

C27H26FN5O2 — CID 46699873

IUPAC1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C27H26FN5O2/c1-19-2-5-21(6-3-19)26-24(18-33(31-26)23-9-7-22(28)8-10-23)27(34)30-17-20-4-11-25(29-16-20)32-12-14-35-15-13-32/h2-11,16,18H,12-15,17H2,1H3,(H,30,34)
InChIKeyOFSHDERBDRIFET-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.15
Rot. Bonds6

About 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 46699873) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID46699873
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C27H26FN5O2/c1-19-2-5-21(6-3-19)26-24(18-33(31-26)23-9-7-22(28)8-10-23)27(34)30-17-20-4-11-25(29-16-20)32-12-14-35-15-13-32/h2-11,16,18H,12-15,17H2,1H3,(H,30,34)
InChIKeyOFSHDERBDRIFET-UHFFFAOYSA-N
XLogP4.15
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 55725262
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
methyl 2-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 27682175
4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 37489976
N-[(1,3-diphenylpyrazol-4-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 24606874
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 33116947
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 18139639
methyl 4-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]butanoate
CID 30590805

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide (CID 46699873) is 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2ccc(N3CCOCC3)nc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is OFSHDERBDRIFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-19-2-5-21(6-3-19)26-24(18-33(31-26)23-9-7-22(28)8-10-23)27(34)30-17-20-4-11-25(29-16-20)32-12-14-35-15-13-32/h2-11,16,18H,12-15,17H2,1H3,(H,30,34).
What are the key properties of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46699873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).