3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide

C19H14BrFN4O2 — CID 166068141

IUPAC3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C2=NCCO2)cnn1-c1ccc(F)cc1)c1cccc(Br)c1
InChIInChI=1S/C19H14BrFN4O2/c20-13-3-1-2-12(10-13)18(26)24-17-16(19-22-8-9-27-19)11-23-25(17)15-6-4-14(21)5-7-15/h1-7,10-11H,8-9H2,(H,24,26)
InChIKeyDAHMXHRNOIEGNA-UHFFFAOYSA-N
MW429.25 g/mol
LogP3.80
Rot. Bonds4

About 3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide

3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide (PubChem CID 166068141) has the molecular formula C19H14BrFN4O2 and a molecular weight of 429.25 g/mol. Its IUPAC name is 3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide
PubChem CID166068141
Molecular FormulaC19H14BrFN4O2
Molecular Weight429.25 g/mol
Exact Mass428.03
IUPAC Name3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C2=NCCO2)cnn1-c1ccc(F)cc1)c1cccc(Br)c1
InChIInChI=1S/C19H14BrFN4O2/c20-13-3-1-2-12(10-13)18(26)24-17-16(19-22-8-9-27-19)11-23-25(17)15-6-4-14(21)5-7-15/h1-7,10-11H,8-9H2,(H,24,26)
InChIKeyDAHMXHRNOIEGNA-UHFFFAOYSA-N
XLogP3.80
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Methyl-benzoylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 719913
4-fluoro-N-[4-(morpholine-4-carbonyl)-2-phenylpyrazol-3-yl]benzamide
CID 1312047
Ethyl 5-(2-fluorobenzamido)-1-phenyl-1H-pyrazole-4-carboxylate
CID 1240922
ethyl 5-benzamido-1-phenyl-1H-pyrazole-4-carboxylate
CID 692663
N-(4-Bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 1067674
3-fluoro-N-[4-(morpholine-4-carbonyl)-2-phenylpyrazol-3-yl]benzamide
CID 1068285
2-Fluoro-N-[4-(morpholine-4-carbonyl)-2-phenyl-2H-pyrazol-3-yl]-benzamide
CID 1204124
ethyl 5-{[(4-fluorophenyl)acetyl]amino}-1-phenyl-1H-pyrazole-4-carboxylate
CID 2168156
Cambridge id 5584438
CID 1350738
Cambridge id 5578761
CID 2251780
N-(4-bromophenyl)-5-[(3-fluorobenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 1068296
5-[(4-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1336724

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide?
The IUPAC name of 3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide (CID 166068141) is 3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide is O=C(Nc1c(C2=NCCO2)cnn1-c1ccc(F)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide?
The InChIKey is DAHMXHRNOIEGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN4O2/c20-13-3-1-2-12(10-13)18(26)24-17-16(19-22-8-9-27-19)11-23-25(17)15-6-4-14(21)5-7-15/h1-7,10-11H,8-9H2,(H,24,26).
What are the key properties of 3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide?
3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide has a molecular weight of 429.25 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 166068141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).