N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide

C20H19BrFN3O — CID 29213193

IUPACN-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C20H19BrFN3O/c1-13-19(14(2)25(23-13)17-10-8-16(22)9-11-17)20(26)24(3)12-15-6-4-5-7-18(15)21/h4-11H,12H2,1-3H3
InChIKeyFDSBDDXOIZWMCA-UHFFFAOYSA-N
MW416.29 g/mol
LogP4.66
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide

N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 29213193) has the molecular formula C20H19BrFN3O and a molecular weight of 416.29 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
PubChem CID29213193
Molecular FormulaC20H19BrFN3O
Molecular Weight416.29 g/mol
Exact Mass415.07
IUPAC NameN-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C20H19BrFN3O/c1-13-19(14(2)25(23-13)17-10-8-16(22)9-11-17)20(26)24(3)12-15-6-4-5-7-18(15)21/h4-11H,12H2,1-3H3
InChIKeyFDSBDDXOIZWMCA-UHFFFAOYSA-N
XLogP4.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
CID 46656087
N-[(2-chloro-6-fluorophenyl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 31361212
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
N-[3-[benzyl(methyl)amino]propyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 31588579
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 31215861
5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
CID 31150856
5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide
CID 55360982
5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 31240354
1-(4-fluorophenyl)-N,3,5-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 55380653
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103511075

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide (CID 29213193) is N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is FDSBDDXOIZWMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3O/c1-13-19(14(2)25(23-13)17-10-8-16(22)9-11-17)20(26)24(3)12-15-6-4-5-7-18(15)21/h4-11H,12H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide?
N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 416.29 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 29213193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).