2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide

C13H13BrClN3O — CID 56725410

IUPAC2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)n1cc(Br)cn1
InChIInChI=1S/C13H13BrClN3O/c1-9(18-8-11(14)7-17-18)13(19)16-6-10-4-2-3-5-12(10)15/h2-5,7-9H,6H2,1H3,(H,16,19)
InChIKeyPQLYYUBMIYJMDA-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.18
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide

2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 56725410) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID56725410
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)n1cc(Br)cn1
InChIInChI=1S/C13H13BrClN3O/c1-9(18-8-11(14)7-17-18)13(19)16-6-10-4-2-3-5-12(10)15/h2-5,7-9H,6H2,1H3,(H,16,19)
InChIKeyPQLYYUBMIYJMDA-UHFFFAOYSA-N
XLogP3.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19502955
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 45153767
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide
CID 19286317
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 35334159
(2R)-N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2495850
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 136513372
N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 61036183
N-[(2-chlorophenyl)methyl]-3-[[(2R,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]propanamide
CID 95340689
2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19537660

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide (CID 56725410) is 2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide is CC(C(=O)NCc1ccccc1Cl)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is PQLYYUBMIYJMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-9(18-8-11(14)7-17-18)13(19)16-6-10-4-2-3-5-12(10)15/h2-5,7-9H,6H2,1H3,(H,16,19).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide?
2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 342.62 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 56725410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).