3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide

C14H16BrN3O — CID 19466971

IUPAC3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H16BrN3O/c1-9(13-8-18(3)17-10(13)2)16-14(19)11-5-4-6-12(15)7-11/h4-9H,1-3H3,(H,16,19)
InChIKeyIUJSZGMQISSHAU-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.98
Rot. Bonds3

About 3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide

3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide (PubChem CID 19466971) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
PubChem CID19466971
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H16BrN3O/c1-9(13-8-18(3)17-10(13)2)16-14(19)11-5-4-6-12(15)7-11/h4-9H,1-3H3,(H,16,19)
InChIKeyIUJSZGMQISSHAU-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466850
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline
CID 65192307
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 146122778
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327144
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 92614409
2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119944858
3-(3-bromophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495600
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
CID 19466965
methyl 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65191652
4-[(2-bromophenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466770
3-[(4-bromophenoxy)methyl]-N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzamide
CID 1231862
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide
CID 19466973

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide (CID 19466971) is 3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide is Cc1nn(C)cc1C(C)NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is IUJSZGMQISSHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9(13-8-18(3)17-10(13)2)16-14(19)11-5-4-6-12(15)7-11/h4-9H,1-3H3,(H,16,19).
What are the key properties of 3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide?
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 322.21 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 19466971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).