3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

C14H16BrN3O — CID 103855882

IUPAC3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1cccc(Br)c1)c1cn[nH]c1
InChIInChI=1S/C14H16BrN3O/c1-10(12-8-16-17-9-12)18-14(19)6-5-11-3-2-4-13(15)7-11/h2-4,7-10H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyFXAHDUIMTMDZJA-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.98
Rot. Bonds5

About 3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 103855882) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID103855882
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1cccc(Br)c1)c1cn[nH]c1
InChIInChI=1S/C14H16BrN3O/c1-10(12-8-16-17-9-12)18-14(19)6-5-11-3-2-4-13(15)7-11/h2-4,7-10H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyFXAHDUIMTMDZJA-UHFFFAOYSA-N
XLogP2.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856183
3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide
CID 103856534
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856094
N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 60700309
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 115341637
3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217042
methyl 2-[3-(3-bromophenyl)propanoylamino]-3-methylbutanoate
CID 43404120
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
CID 122560537
3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252822
3-[3-(3-bromophenyl)propanoylamino]-2-methylbutanoic acid
CID 113415870
2-(3-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133189879

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 103855882) is 3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is CC(NC(=O)CCc1cccc(Br)c1)c1cn[nH]c1.
What is the InChIKey of 3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is FXAHDUIMTMDZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10(12-8-16-17-9-12)18-14(19)6-5-11-3-2-4-13(15)7-11/h2-4,7-10H,5-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 322.21 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 103855882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).