3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide

C14H16BrN3O2 — CID 19570131

IUPAC3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCn2ncc(Br)c2C)c1
InChIInChI=1S/C14H16BrN3O2/c1-10-13(15)9-16-18(10)7-6-14(19)17-11-4-3-5-12(8-11)20-2/h3-5,8-9H,6-7H2,1-2H3,(H,17,19)
InChIKeyNBUBMJOYGSZQAK-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.99
Rot. Bonds5

About 3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide

3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide (PubChem CID 19570131) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide
PubChem CID19570131
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCn2ncc(Br)c2C)c1
InChIInChI=1S/C14H16BrN3O2/c1-10-13(15)9-16-18(10)7-6-14(19)17-11-4-3-5-12(8-11)20-2/h3-5,8-9H,6-7H2,1-2H3,(H,17,19)
InChIKeyNBUBMJOYGSZQAK-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide (CID 19570131) is 3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCn2ncc(Br)c2C)c1.
What is the InChIKey of 3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide?
The InChIKey is NBUBMJOYGSZQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-10-13(15)9-16-18(10)7-6-14(19)17-11-4-3-5-12(8-11)20-2/h3-5,8-9H,6-7H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide?
3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide has a molecular weight of 338.21 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 19570131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).