N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide

C18H15Br2FN4O — CID 166391477

IUPACN-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide
SMILESO=C(CCc1ccnc(Br)c1)Nc1nn(Cc2ccccc2F)cc1Br
InChIInChI=1S/C18H15Br2FN4O/c19-14-11-25(10-13-3-1-2-4-15(13)21)24-18(14)23-17(26)6-5-12-7-8-22-16(20)9-12/h1-4,7-9,11H,5-6,10H2,(H,23,24,26)
InChIKeyAKHVZSGRAMGYQJ-UHFFFAOYSA-N
MW482.15 g/mol
LogP4.56
Rot. Bonds6

About N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide

N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide (PubChem CID 166391477) has the molecular formula C18H15Br2FN4O and a molecular weight of 482.15 g/mol. Its IUPAC name is N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide
PubChem CID166391477
Molecular FormulaC18H15Br2FN4O
Molecular Weight482.15 g/mol
Exact Mass479.96
IUPAC NameN-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide
SMILESO=C(CCc1ccnc(Br)c1)Nc1nn(Cc2ccccc2F)cc1Br
InChIInChI=1S/C18H15Br2FN4O/c19-14-11-25(10-13-3-1-2-4-15(13)21)24-18(14)23-17(26)6-5-12-7-8-22-16(20)9-12/h1-4,7-9,11H,5-6,10H2,(H,23,24,26)
InChIKeyAKHVZSGRAMGYQJ-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.15
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492219
1-[3-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470688
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,2-diphenylacetamide
CID 39854123
1-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-naphthalen-1-ylurea
CID 19405756
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzamide
CID 19287651
1-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-ethylthiourea
CID 19580629
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-bromophenoxy)methyl]benzamide
CID 19287458
3-[3-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506598
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(4-bromophenoxy)methyl]benzamide
CID 19287484
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19287684
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-nitrobenzamide
CID 19287718
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 166391483

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide?
The IUPAC name of N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide (CID 166391477) is N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide.
What is the SMILES notation for N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide?
The canonical SMILES for N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide is O=C(CCc1ccnc(Br)c1)Nc1nn(Cc2ccccc2F)cc1Br.
What is the InChIKey of N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide?
The InChIKey is AKHVZSGRAMGYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2FN4O/c19-14-11-25(10-13-3-1-2-4-15(13)21)24-18(14)23-17(26)6-5-12-7-8-22-16(20)9-12/h1-4,7-9,11H,5-6,10H2,(H,23,24,26).
What are the key properties of N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide?
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide has a molecular weight of 482.15 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-bromo-4-pyridinyl)propanamide is sourced from PubChem (CID 166391477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).