5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide

C18H15BrFN3O2 — CID 75455691

IUPAC5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1Br
InChIInChI=1S/C18H15BrFN3O2/c1-23-17(19)16(10-21-23)18(24)22-14-3-2-4-15(9-14)25-11-12-5-7-13(20)8-6-12/h2-10H,11H2,1H3,(H,22,24)
InChIKeyCPZIEIHCLMYMBR-UHFFFAOYSA-N
MW404.24 g/mol
LogP4.15
Rot. Bonds5

About 5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide

5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 75455691) has the molecular formula C18H15BrFN3O2 and a molecular weight of 404.24 g/mol. Its IUPAC name is 5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID75455691
Molecular FormulaC18H15BrFN3O2
Molecular Weight404.24 g/mol
Exact Mass403.03
IUPAC Name5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1Br
InChIInChI=1S/C18H15BrFN3O2/c1-23-17(19)16(10-21-23)18(24)22-14-3-2-4-15(9-14)25-11-12-5-7-13(20)8-6-12/h2-10H,11H2,1H3,(H,22,24)
InChIKeyCPZIEIHCLMYMBR-UHFFFAOYSA-N
XLogP4.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 87040595
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 34607272
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55697541
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 56531892
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55618154
N-[3-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 34608313
4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19623911
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134020920
2-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 119284258
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 31857522
2-(2-ethoxyphenoxy)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 55577983

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide (CID 75455691) is 5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1Br.
What is the InChIKey of 5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is CPZIEIHCLMYMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O2/c1-23-17(19)16(10-21-23)18(24)22-14-3-2-4-15(9-14)25-11-12-5-7-13(20)8-6-12/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of 5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide?
5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 404.24 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 75455691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).