N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide

C13H14BrN3O2 — CID 47354774

IUPACN-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide
SMILESCOc1ccc(Br)cc1NC(=O)CCn1cccn1
InChIInChI=1S/C13H14BrN3O2/c1-19-12-4-3-10(14)9-11(12)16-13(18)5-8-17-7-2-6-15-17/h2-4,6-7,9H,5,8H2,1H3,(H,16,18)
InChIKeyOVLQKIKCNHKMQR-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.68
Rot. Bonds5

About N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide

N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide (PubChem CID 47354774) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide
PubChem CID47354774
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide
SMILESCOc1ccc(Br)cc1NC(=O)CCn1cccn1
InChIInChI=1S/C13H14BrN3O2/c1-19-12-4-3-10(14)9-11(12)16-13(18)5-8-17-7-2-6-15-17/h2-4,6-7,9H,5,8H2,1H3,(H,16,18)
InChIKeyOVLQKIKCNHKMQR-UHFFFAOYSA-N
XLogP2.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339335
N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47317633
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
N-(5-bromo-2-methoxyphenyl)pent-4-ynamide
CID 106741399
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 104939286
N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 3241935
N-(5-bromo-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 55905124
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 99832953
N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
CID 119124142
N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663723

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide (CID 47354774) is N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide is COc1ccc(Br)cc1NC(=O)CCn1cccn1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is OVLQKIKCNHKMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-19-12-4-3-10(14)9-11(12)16-13(18)5-8-17-7-2-6-15-17/h2-4,6-7,9H,5,8H2,1H3,(H,16,18).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide?
N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 324.18 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 47354774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).