N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide

C13H13BrFN3O — CID 47353212

IUPACN-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(F)cc2Br)c1
InChIInChI=1S/C13H13BrFN3O/c1-9-7-16-18(8-9)5-4-13(19)17-12-3-2-10(15)6-11(12)14/h2-3,6-8H,4-5H2,1H3,(H,17,19)
InChIKeyWXCZKVPBDIMYQH-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.12
Rot. Bonds4

About N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide

N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 47353212) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID47353212
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC NameN-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(F)cc2Br)c1
InChIInChI=1S/C13H13BrFN3O/c1-9-7-16-18(8-9)5-4-13(19)17-12-3-2-10(15)6-11(12)14/h2-3,6-8H,4-5H2,1H3,(H,17,19)
InChIKeyWXCZKVPBDIMYQH-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60872907
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874215
N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873279
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 56783386
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
N-(5-amino-2-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874213
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 87040595
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
N-(2-bromo-4-fluorophenyl)-3-oxobutanamide
CID 28939516
5-(2-bromo-4-fluoroanilino)-5-oxopentanoic acid
CID 43529761
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 87044058
(3S)-3-(4-fluorophenyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]propanoic acid
CID 97317543

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide (CID 47353212) is N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)Nc2ccc(F)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is WXCZKVPBDIMYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-9-7-16-18(8-9)5-4-13(19)17-12-3-2-10(15)6-11(12)14/h2-3,6-8H,4-5H2,1H3,(H,17,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 326.17 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 47353212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).