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

C24H21BrN4O4 — CID 19400443

IUPAC4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)c2cccc(COc3cccc(Br)c3)c2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C24H21BrN4O4/c1-29-14-21(22(28-29)24(31)26-13-20-9-4-10-32-20)27-23(30)17-6-2-5-16(11-17)15-33-19-8-3-7-18(25)12-19/h2-12,14H,13,15H2,1H3,(H,26,31)(H,27,30)
InChIKeyOOYAAMJXXQWOJP-UHFFFAOYSA-N
MW509.36 g/mol
LogP4.54
Rot. Bonds8

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

4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 19400443) has the molecular formula C24H21BrN4O4 and a molecular weight of 509.36 g/mol. Its IUPAC name is 4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
PubChem CID19400443
Molecular FormulaC24H21BrN4O4
Molecular Weight509.36 g/mol
Exact Mass508.07
IUPAC Name4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)c2cccc(COc3cccc(Br)c3)c2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C24H21BrN4O4/c1-29-14-21(22(28-29)24(31)26-13-20-9-4-10-32-20)27-23(30)17-6-2-5-16(11-17)15-33-19-8-3-7-18(25)12-19/h2-12,14H,13,15H2,1H3,(H,26,31)(H,27,30)
InChIKeyOOYAAMJXXQWOJP-UHFFFAOYSA-N
XLogP4.54
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.36
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[(2,3-dichlorophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400530
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400521
4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400249
4-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400516
4-[[3-[(4-bromophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408944
1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19400220
N-(furan-2-ylmethyl)-1-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 19474684
4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400423
N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide
CID 111770257
1-ethyl-N-(furan-2-ylmethyl)-4-[(3-methoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400201
3-[(3-bromophenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282192
4-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19272475

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide (CID 19400443) is 4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide is Cn1cc(NC(=O)c2cccc(COc3cccc(Br)c3)c2)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is OOYAAMJXXQWOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O4/c1-29-14-21(22(28-29)24(31)26-13-20-9-4-10-32-20)27-23(30)17-6-2-5-16(11-17)15-33-19-8-3-7-18(25)12-19/h2-12,14H,13,15H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 509.36 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19400443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).