N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide

C19H17BrFN3O2 — CID 19272770

IUPACN-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(C)c(OCn2ccc(C(=O)Nc3ccc(Br)cc3F)n2)c1
InChIInChI=1S/C19H17BrFN3O2/c1-12-3-4-13(2)18(9-12)26-11-24-8-7-17(23-24)19(25)22-16-6-5-14(20)10-15(16)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyVEVHLNNGUYNUJF-UHFFFAOYSA-N
MW418.27 g/mol
LogP4.69
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide

N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19272770) has the molecular formula C19H17BrFN3O2 and a molecular weight of 418.27 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19272770
Molecular FormulaC19H17BrFN3O2
Molecular Weight418.27 g/mol
Exact Mass417.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(C)c(OCn2ccc(C(=O)Nc3ccc(Br)cc3F)n2)c1
InChIInChI=1S/C19H17BrFN3O2/c1-12-3-4-13(2)18(9-12)26-11-24-8-7-17(23-24)19(25)22-16-6-5-14(20)10-15(16)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyVEVHLNNGUYNUJF-UHFFFAOYSA-N
XLogP4.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19582689
N-(4-bromo-2-fluorophenyl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273670
1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
CID 19272772
N-(3-chloro-2-methylphenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776810
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19274455
N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776497
1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19265181
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19274648
N-(5-chloro-2-methylphenyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270117
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 4776514
N-(cyclopropylmethyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 95756234
4-[[1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19273003

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide (CID 19272770) is N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide is Cc1ccc(C)c(OCn2ccc(C(=O)Nc3ccc(Br)cc3F)n2)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is VEVHLNNGUYNUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O2/c1-12-3-4-13(2)18(9-12)26-11-24-8-7-17(23-24)19(25)22-16-6-5-14(20)10-15(16)21/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 418.27 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19272770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).