N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide

C13H14BrN3O — CID 86907615

IUPACN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O/c1-2-13(18)16-12-7-8-15-17(12)9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyQKXKWVADGPUBAM-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.04
Rot. Bonds4

About N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 86907615) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID86907615
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O/c1-2-13(18)16-12-7-8-15-17(12)9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyQKXKWVADGPUBAM-UHFFFAOYSA-N
XLogP3.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559345
2-(4-bromophenyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806526
N-(2-ethylpyrazol-3-yl)propanamide
CID 59069155
cis-(1R,2S)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methylcyclopropane-1-carboxamide
CID 40972650
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 16564232
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 34074376
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide
CID 55396911
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 16564265
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 27831482
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(4-cyanophenoxy)acetamide
CID 7504756

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide (CID 86907615) is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide is CCC(=O)Nc1ccnn1Cc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is QKXKWVADGPUBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-2-13(18)16-12-7-8-15-17(12)9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H,16,18).
What are the key properties of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide?
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 308.18 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 86907615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).