2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide

C18H16BrN3O2 — CID 19410114

IUPAC2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3ccccc3Br)cn2)c1
InChIInChI=1S/C18H16BrN3O2/c1-24-15-6-4-5-13(9-15)11-22-12-14(10-20-22)21-18(23)16-7-2-3-8-17(16)19/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyKQQUJMRXHRRFRL-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.95
Rot. Bonds5

About 2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide

2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19410114) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19410114
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3ccccc3Br)cn2)c1
InChIInChI=1S/C18H16BrN3O2/c1-24-15-6-4-5-13(9-15)11-22-12-14(10-20-22)21-18(23)16-7-2-3-8-17(16)19/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyKQQUJMRXHRRFRL-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 35521452
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496247
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
2-[4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500639
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 17284912
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212469
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
CID 35521519
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414149
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide (CID 19410114) is 2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide is COc1cccc(Cn2cc(NC(=O)c3ccccc3Br)cn2)c1.
What is the InChIKey of 2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is KQQUJMRXHRRFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-24-15-6-4-5-13(9-15)11-22-12-14(10-20-22)21-18(23)16-7-2-3-8-17(16)19/h2-10,12H,11H2,1H3,(H,21,23).
What are the key properties of 2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 386.25 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19410114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).