N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide

C19H17BrFN3O2 — CID 16564265

IUPACN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1F
InChIInChI=1S/C19H17BrFN3O2/c1-26-17-7-4-14(10-16(17)21)11-19(25)23-18-8-9-22-24(18)12-13-2-5-15(20)6-3-13/h2-10H,11-12H2,1H3,(H,23,25)
InChIKeyVPURPAXKNJJVPN-UHFFFAOYSA-N
MW418.27 g/mol
LogP4.02
Rot. Bonds6

About N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 16564265) has the molecular formula C19H17BrFN3O2 and a molecular weight of 418.27 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID16564265
Molecular FormulaC19H17BrFN3O2
Molecular Weight418.27 g/mol
Exact Mass417.05
IUPAC NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1F
InChIInChI=1S/C19H17BrFN3O2/c1-26-17-7-4-14(10-16(17)21)11-19(25)23-18-8-9-22-24(18)12-13-2-5-15(20)6-3-13/h2-10H,11-12H2,1H3,(H,23,25)
InChIKeyVPURPAXKNJJVPN-UHFFFAOYSA-N
XLogP4.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 24509854
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 16564232
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 27831482
2-(4-bromophenyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806526
N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 39166458
4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559345
2-(3,4-dichlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 8810777
(E)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 16564214
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 74854086
2-(3-fluoro-4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 39953694

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide (CID 16564265) is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1F.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is VPURPAXKNJJVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O2/c1-26-17-7-4-14(10-16(17)21)11-19(25)23-18-8-9-22-24(18)12-13-2-5-15(20)6-3-13/h2-10H,11-12H2,1H3,(H,23,25).
What are the key properties of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide?
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 418.27 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 16564265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).