1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C25H23FN4O — CID 55982722

IUPAC1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1ccccc1CN(Cc1cccnc1)C(=O)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C25H23FN4O/c1-18-6-3-4-8-21(18)17-29(16-20-7-5-13-27-14-20)25(31)24-15-28-30(19(24)2)23-11-9-22(26)10-12-23/h3-15H,16-17H2,1-2H3
InChIKeyLPJLXCCRIWOYLL-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.87
Rot. Bonds6

About 1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 55982722) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID55982722
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1ccccc1CN(Cc1cccnc1)C(=O)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C25H23FN4O/c1-18-6-3-4-8-21(18)17-29(16-20-7-5-13-27-14-20)25(31)24-15-28-30(19(24)2)23-11-9-22(26)10-12-23/h3-15H,16-17H2,1-2H3
InChIKeyLPJLXCCRIWOYLL-UHFFFAOYSA-N
XLogP4.87
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide
CID 46413058
3-[cyclopropyl-(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 86900844
N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39862153
3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 76868208
3-(diethylsulfamoyl)-4-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55983350
1-[(2-methylphenyl)methyl]-3-pyridin-3-yl-1-(pyridin-3-ylmethyl)urea
CID 47075709
1-ethyl-N-[(2-methylphenyl)methyl]-6-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55982720
N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761
1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
CID 142010489
3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 47848242
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55982328
3-(azepan-1-ylsulfonyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55981939

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 55982722) is 1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is LPJLXCCRIWOYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-18-6-3-4-8-21(18)17-29(16-20-7-5-13-27-14-20)25(31)24-15-28-30(19(24)2)23-11-9-22(26)10-12-23/h3-15H,16-17H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55982722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).