N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide

C20H19BrFN3O2 — CID 56573561

IUPACN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide
SMILESCc1nn(C)c(NC(=O)CCOc2ccc(F)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C20H19BrFN3O2/c1-13-19(14-3-5-15(21)6-4-14)20(25(2)24-13)23-18(26)11-12-27-17-9-7-16(22)8-10-17/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyYICQWKGORGKGMX-UHFFFAOYSA-N
MW432.29 g/mol
LogP4.70
Rot. Bonds6

About N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide

N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide (PubChem CID 56573561) has the molecular formula C20H19BrFN3O2 and a molecular weight of 432.29 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide
PubChem CID56573561
Molecular FormulaC20H19BrFN3O2
Molecular Weight432.29 g/mol
Exact Mass431.06
IUPAC NameN-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide
SMILESCc1nn(C)c(NC(=O)CCOc2ccc(F)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C20H19BrFN3O2/c1-13-19(14-3-5-15(21)6-4-14)20(25(2)24-13)23-18(26)11-12-27-17-9-7-16(22)8-10-17/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyYICQWKGORGKGMX-UHFFFAOYSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenyl)butanamide
CID 56535885
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 56536068
(E)-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 56536098
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(4-chlorophenyl)butanamide
CID 56535902
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-methylphenyl)propanamide
CID 56573627
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 56536076
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide
CID 56536116
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 56573655
4-[(1,3-dimethyl-4-phenylpyrazol-5-yl)amino]-4-oxobutanoic acid
CID 134712423
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 56536259
4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide
CID 56575763

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide (CID 56573561) is N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide is Cc1nn(C)c(NC(=O)CCOc2ccc(F)cc2)c1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide?
The InChIKey is YICQWKGORGKGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3O2/c1-13-19(14-3-5-15(21)6-4-14)20(25(2)24-13)23-18(26)11-12-27-17-9-7-16(22)8-10-17/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide?
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide has a molecular weight of 432.29 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 56573561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).