4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide

C13H13BrFN3O — CID 19267272

IUPAC4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C13H13BrFN3O/c1-2-18-8-11(14)12(17-18)13(19)16-7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,19)
InChIKeyIWSKZOWVCCUDIR-UHFFFAOYSA-N
MW326.17 g/mol
LogP2.73
Rot. Bonds4

About 4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide

4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide (PubChem CID 19267272) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
PubChem CID19267272
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C13H13BrFN3O/c1-2-18-8-11(14)12(17-18)13(19)16-7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,19)
InChIKeyIWSKZOWVCCUDIR-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891679
4-bromo-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 790519
4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 755380
N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 832004
4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892592
2-bromo-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]benzamide
CID 1225310
4-bromo-1-ethyl-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 3239332
N-(4-{N-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)-4-fluorobenzamide
CID 5999204
4-bromo-1,5-dimethyl-N'-(2-methyl-3-phenyl-2-propenylidene)-1H-pyrazole-3-carbohydrazide
CID 6873431
(4-Bromo-1-methyl-1Hpyrazol-3-yl)-{4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl}methanone
CID 24810866
2-(4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl)-1-(4-fluorophenyl)ethanone
CID 24810870
(4-Bromo-1-methyl-1Hpyrazol-3-yl)-{4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl}methanone
CID 24811184

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide (CID 19267272) is 4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is IWSKZOWVCCUDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-2-18-8-11(14)12(17-18)13(19)16-7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,19).
What are the key properties of 4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide?
4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 326.17 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19267272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).