3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide

C14H16BrN3O — CID 19559927

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
SMILESCc1nn(CCC(=O)Nc2ccccc2)c(C)c1Br
InChIInChI=1S/C14H16BrN3O/c1-10-14(15)11(2)18(17-10)9-8-13(19)16-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19)
InChIKeyCMCLGVHKDHMXBG-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.29
Rot. Bonds4

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide (PubChem CID 19559927) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
PubChem CID19559927
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
SMILESCc1nn(CCC(=O)Nc2ccccc2)c(C)c1Br
InChIInChI=1S/C14H16BrN3O/c1-10-14(15)11(2)18(17-10)9-8-13(19)16-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19)
InChIKeyCMCLGVHKDHMXBG-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19559886
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide
CID 19559871
N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 35322733
N-(3-amino-2-methylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62129891
4-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]anilino]-4-oxobutanoic acid
CID 19585650
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35322613
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555838
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxyphenyl)acetamide
CID 19525702
ethyl 5-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 19559912
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19561563
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19404233
N-(5-amino-2-fluorophenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62128370

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide (CID 19559927) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide is Cc1nn(CCC(=O)Nc2ccccc2)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide?
The InChIKey is CMCLGVHKDHMXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10-14(15)11(2)18(17-10)9-8-13(19)16-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19).
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide has a molecular weight of 322.21 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 19559927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).