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

C14H16BrN3O2 — CID 71983229

IUPACN-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCOc1cc(NC(=O)CCc2cnn(C)c2)ccc1Br
InChIInChI=1S/C14H16BrN3O2/c1-18-9-10(8-16-18)3-6-14(19)17-11-4-5-12(15)13(7-11)20-2/h4-5,7-9H,3,6H2,1-2H3,(H,17,19)
InChIKeyNBPIXYZHQGZXGN-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.76
Rot. Bonds5

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

N-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 71983229) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID71983229
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCOc1cc(NC(=O)CCc2cnn(C)c2)ccc1Br
InChIInChI=1S/C14H16BrN3O2/c1-18-9-10(8-16-18)3-6-14(19)17-11-4-5-12(15)13(7-11)20-2/h4-5,7-9H,3,6H2,1-2H3,(H,17,19)
InChIKeyNBPIXYZHQGZXGN-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide (CID 71983229) is N-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide is COc1cc(NC(=O)CCc2cnn(C)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is NBPIXYZHQGZXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-18-9-10(8-16-18)3-6-14(19)17-11-4-5-12(15)13(7-11)20-2/h4-5,7-9H,3,6H2,1-2H3,(H,17,19).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
N-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 338.21 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 71983229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).