N-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide

C18H15BrFN3O — CID 22620348

IUPACN-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)N(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrFN3O/c1-12-16(17(20)22(2)21-12)18(24)23(14-6-4-3-5-7-14)15-10-8-13(19)9-11-15/h3-11H,1-2H3
InChIKeyFWWMBMGLAIOQSM-UHFFFAOYSA-N
MW388.24 g/mol
LogP4.61
Rot. Bonds3

About N-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide

N-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide (PubChem CID 22620348) has the molecular formula C18H15BrFN3O and a molecular weight of 388.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
PubChem CID22620348
Molecular FormulaC18H15BrFN3O
Molecular Weight388.24 g/mol
Exact Mass387.04
IUPAC NameN-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)N(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrFN3O/c1-12-16(17(20)22(2)21-12)18(24)23(14-6-4-3-5-7-14)15-10-8-13(19)9-11-15/h3-11H,1-2H3
InChIKeyFWWMBMGLAIOQSM-UHFFFAOYSA-N
XLogP4.61
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide (CID 22620348) is N-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(=O)N(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide?
The InChIKey is FWWMBMGLAIOQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O/c1-12-16(17(20)22(2)21-12)18(24)23(14-6-4-3-5-7-14)15-10-8-13(19)9-11-15/h3-11H,1-2H3.
What are the key properties of N-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide?
N-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide has a molecular weight of 388.24 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-fluoro-1,3-dimethyl-N-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 22620348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).