3-bromo-5-(1-methylpyrazol-4-yl)benzamide

C11H10BrN3O — CID 146020234

IUPAC3-bromo-5-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2cc(Br)cc(C(N)=O)c2)cn1
InChIInChI=1S/C11H10BrN3O/c1-15-6-9(5-14-15)7-2-8(11(13)16)4-10(12)3-7/h2-6H,1H3,(H2,13,16)
InChIKeyQHNMWXIASVVASV-UHFFFAOYSA-N
MW280.13 g/mol
LogP1.95
Rot. Bonds2

About 3-bromo-5-(1-methylpyrazol-4-yl)benzamide

3-bromo-5-(1-methylpyrazol-4-yl)benzamide (PubChem CID 146020234) has the molecular formula C11H10BrN3O and a molecular weight of 280.13 g/mol. Its IUPAC name is 3-bromo-5-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-(1-methylpyrazol-4-yl)benzamide
PubChem CID146020234
Molecular FormulaC11H10BrN3O
Molecular Weight280.13 g/mol
Exact Mass279.00
IUPAC Name3-bromo-5-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2cc(Br)cc(C(N)=O)c2)cn1
InChIInChI=1S/C11H10BrN3O/c1-15-6-9(5-14-15)7-2-8(11(13)16)4-10(12)3-7/h2-6H,1H3,(H2,13,16)
InChIKeyQHNMWXIASVVASV-UHFFFAOYSA-N
XLogP1.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(1-methylpyrazol-4-yl)benzonitrile
CID 172990854
fluoromethane;1-methylpyrazole-4-carboxamide
CID 158051819
5-(1-methylpyrazol-4-yl)pyridine-3-carbohydrazide
CID 175442259
3-bromo-5-(3-methoxyphenyl)benzamide
CID 170460020
4-(3,5-dinitrophenyl)-1-methylpyrazole
CID 121277839
1-methylpyrazole-4-carboxamide;1,2,3-trifluoro-5-phenylbenzene
CID 159796850
6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 141364751
4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide
CID 129265147
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270
2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid
CID 79218431
3-bromo-5-chlorobenzamide
CID 53417471
(NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine
CID 82534296

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-bromo-5-(1-methylpyrazol-4-yl)benzamide (CID 146020234) is 3-bromo-5-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-bromo-5-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-bromo-5-(1-methylpyrazol-4-yl)benzamide is Cn1cc(-c2cc(Br)cc(C(N)=O)c2)cn1.
What is the InChIKey of 3-bromo-5-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is QHNMWXIASVVASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-15-6-9(5-14-15)7-2-8(11(13)16)4-10(12)3-7/h2-6H,1H3,(H2,13,16).
What are the key properties of 3-bromo-5-(1-methylpyrazol-4-yl)benzamide?
3-bromo-5-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 280.13 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 146020234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).