2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide

C15H10BrF4N5O — CID 19286595

IUPAC2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cn1cc(Br)cn1)Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C15H10BrF4N5O/c16-8-4-21-25(5-8)7-13(26)22-12-1-2-24(23-12)6-9-14(19)10(17)3-11(18)15(9)20/h1-5H,6-7H2,(H,22,23,26)
InChIKeyZHIAODTXSUWBJL-UHFFFAOYSA-N
MW432.18 g/mol
LogP3.09
Rot. Bonds5

About 2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide

2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 19286595) has the molecular formula C15H10BrF4N5O and a molecular weight of 432.18 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID19286595
Molecular FormulaC15H10BrF4N5O
Molecular Weight432.18 g/mol
Exact Mass431.00
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cn1cc(Br)cn1)Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C15H10BrF4N5O/c16-8-4-21-25(5-8)7-13(26)22-12-1-2-24(23-12)6-9-14(19)10(17)3-11(18)15(9)20/h1-5H,6-7H2,(H,22,23,26)
InChIKeyZHIAODTXSUWBJL-UHFFFAOYSA-N
XLogP3.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19285191
2-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19286661
4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286680
N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 19286658
4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286615
1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19286548
3,5-dinitro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286430
2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 47263262
N-[1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 68643541
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395364
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526561
3-nitro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286417

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 19286595) is 2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide is O=C(Cn1cc(Br)cn1)Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is ZHIAODTXSUWBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF4N5O/c16-8-4-21-25(5-8)7-13(26)22-12-1-2-24(23-12)6-9-14(19)10(17)3-11(18)15(9)20/h1-5H,6-7H2,(H,22,23,26).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 432.18 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 19286595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).