4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide

C19H17BrN4O3 — CID 4766875

IUPAC4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)c2ccc(COc3ccccc3Br)cc2)c(C(N)=O)n1
InChIInChI=1S/C19H17BrN4O3/c1-24-10-15(17(23-24)18(21)25)22-19(26)13-8-6-12(7-9-13)11-27-16-5-3-2-4-14(16)20/h2-10H,11H2,1H3,(H2,21,25)(H,22,26)
InChIKeyGVHHTVJCDVDTDG-UHFFFAOYSA-N
MW429.27 g/mol
LogP3.11
Rot. Bonds6

About 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide

4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide (PubChem CID 4766875) has the molecular formula C19H17BrN4O3 and a molecular weight of 429.27 g/mol. Its IUPAC name is 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
PubChem CID4766875
Molecular FormulaC19H17BrN4O3
Molecular Weight429.27 g/mol
Exact Mass428.05
IUPAC Name4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)c2ccc(COc3ccccc3Br)cc2)c(C(N)=O)n1
InChIInChI=1S/C19H17BrN4O3/c1-24-10-15(17(23-24)18(21)25)22-19(26)13-8-6-12(7-9-13)11-27-16-5-3-2-4-14(16)20/h2-10H,11H2,1H3,(H2,21,25)(H,22,26)
InChIKeyGVHHTVJCDVDTDG-UHFFFAOYSA-N
XLogP3.11
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide
CID 4617873
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19405997
4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393367
4-[(2-bromophenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466770
4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410621
4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 1039541
4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
CID 4774859
4-[(4-ethylbenzoyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410625
4-[(2-bromophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400049
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-bromophenoxy)methyl]benzamide
CID 19287458
4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19467688
4-[[4-[(4-bromo-2-chlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404736

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide (CID 4766875) is 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide is Cn1cc(NC(=O)c2ccc(COc3ccccc3Br)cc2)c(C(N)=O)n1.
What is the InChIKey of 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide?
The InChIKey is GVHHTVJCDVDTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O3/c1-24-10-15(17(23-24)18(21)25)22-19(26)13-8-6-12(7-9-13)11-27-16-5-3-2-4-14(16)20/h2-10H,11H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide?
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide has a molecular weight of 429.27 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 4766875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).