[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone

C16H13BrF4N4O2 — CID 4094910

IUPAC[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone
SMILESO=C(c1ccc(Cn2cc(Br)cn2)cc1)N1N=C(C(F)F)CC1(O)C(F)F
InChIInChI=1S/C16H13BrF4N4O2/c17-11-6-22-24(8-11)7-9-1-3-10(4-2-9)14(26)25-16(27,15(20)21)5-12(23-25)13(18)19/h1-4,6,8,13,15,27H,5,7H2
InChIKeyZASWVYOACYDFNT-UHFFFAOYSA-N
MW449.20 g/mol
LogP3.11
Rot. Bonds5

About [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone

[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone (PubChem CID 4094910) has the molecular formula C16H13BrF4N4O2 and a molecular weight of 449.20 g/mol. Its IUPAC name is [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone
PubChem CID4094910
Molecular FormulaC16H13BrF4N4O2
Molecular Weight449.20 g/mol
Exact Mass448.02
IUPAC Name[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone
SMILESO=C(c1ccc(Cn2cc(Br)cn2)cc1)N1N=C(C(F)F)CC1(O)C(F)F
InChIInChI=1S/C16H13BrF4N4O2/c17-11-6-22-24(8-11)7-9-1-3-10(4-2-9)14(26)25-16(27,15(20)21)5-12(23-25)13(18)19/h1-4,6,8,13,15,27H,5,7H2
InChIKeyZASWVYOACYDFNT-UHFFFAOYSA-N
XLogP3.11
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.20
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-[(4-methylphenyl)carbonyl]-1H-pyrazole
CID 674656
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[4-[(3-nitropyrazol-1-yl)methyl]phenyl]methanone
CID 4140879
[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 4765929
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]methanone
CID 4765932
(4-bromo-1H-pyrazol-1-yl)(2,6-difluorophenyl)methanone
CID 674642
4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 843231
[4-[(4-Bromopyrazol-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 39891411
4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole
CID 904022
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 4639564
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]methanone
CID 5129594
Pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone
CID 110464334
(4-Bromo-1H-pyrazol-1-yl)(phenyl)methanone
CID 14041589

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone?
The IUPAC name of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone (CID 4094910) is [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone is O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1N=C(C(F)F)CC1(O)C(F)F.
What is the InChIKey of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone?
The InChIKey is ZASWVYOACYDFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF4N4O2/c17-11-6-22-24(8-11)7-9-1-3-10(4-2-9)14(26)25-16(27,15(20)21)5-12(23-25)13(18)19/h1-4,6,8,13,15,27H,5,7H2.
What are the key properties of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone?
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone has a molecular weight of 449.20 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 4094910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).