N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide

C14H14Br2FN3O — CID 35335727

IUPACN-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)Nc2c(Br)cc(F)cc2Br)c1C
InChIInChI=1S/C14H14Br2FN3O/c1-4-20-8(3)12(7(2)19-20)14(21)18-13-10(15)5-9(17)6-11(13)16/h5-6H,4H2,1-3H3,(H,18,21)
InChIKeyRBPZFAQNHKXMIL-UHFFFAOYSA-N
MW419.09 g/mol
LogP4.44
Rot. Bonds3

About N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide

N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 35335727) has the molecular formula C14H14Br2FN3O and a molecular weight of 419.09 g/mol. Its IUPAC name is N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
PubChem CID35335727
Molecular FormulaC14H14Br2FN3O
Molecular Weight419.09 g/mol
Exact Mass416.95
IUPAC NameN-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)Nc2c(Br)cc(F)cc2Br)c1C
InChIInChI=1S/C14H14Br2FN3O/c1-4-20-8(3)12(7(2)19-20)14(21)18-13-10(15)5-9(17)6-11(13)16/h5-6H,4H2,1-3H3,(H,18,21)
InChIKeyRBPZFAQNHKXMIL-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.09
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19589113
1-ethyl-3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 35335785
3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid
CID 119219348
1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 19472103
N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19472160
1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide
CID 110279442
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19472169
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19472183
5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 841537
1-ethyl-3,5-dimethyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 19472242
N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103753650
1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 19281483

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide (CID 35335727) is N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide is CCn1nc(C)c(C(=O)Nc2c(Br)cc(F)cc2Br)c1C.
What is the InChIKey of N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is RBPZFAQNHKXMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2FN3O/c1-4-20-8(3)12(7(2)19-20)14(21)18-13-10(15)5-9(17)6-11(13)16/h5-6H,4H2,1-3H3,(H,18,21).
What are the key properties of N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 419.09 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 35335727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).