2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide

C13H14BrN3O2 — CID 54878147

IUPAC2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
SMILESCOCCn1cc(NC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C13H14BrN3O2/c1-19-7-6-17-9-10(8-15-17)16-13(18)11-4-2-3-5-12(11)14/h2-5,8-9H,6-7H2,1H3,(H,16,18)
InChIKeyHZNREOHRVDYGTL-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.54
Rot. Bonds5

About 2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide

2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide (PubChem CID 54878147) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
PubChem CID54878147
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
SMILESCOCCn1cc(NC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C13H14BrN3O2/c1-19-7-6-17-9-10(8-15-17)16-13(18)11-4-2-3-5-12(11)14/h2-5,8-9H,6-7H2,1H3,(H,16,18)
InChIKeyHZNREOHRVDYGTL-UHFFFAOYSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940
2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 61052437
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410114
2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 107074926
3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 66482554
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
2-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397858
2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410901
4-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methylpyridine-3-carboxamide
CID 81240834
8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167831048
2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411065

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide (CID 54878147) is 2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide is COCCn1cc(NC(=O)c2ccccc2Br)cn1.
What is the InChIKey of 2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
The InChIKey is HZNREOHRVDYGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-19-7-6-17-9-10(8-15-17)16-13(18)11-4-2-3-5-12(11)14/h2-5,8-9H,6-7H2,1H3,(H,16,18).
What are the key properties of 2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide has a molecular weight of 324.18 g/mol, XLogP of 2.54, 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-(2-methoxyethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 54878147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).