[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone

C16H15F6N5O3 — CID 139220130

IUPAC[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone
SMILESCC1=NN(C(=O)c2ccc(N3N=C(C)CC3(O)C(F)(F)F)nc2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C16H15F6N5O3/c1-8-5-13(29,15(17,18)19)26(24-8)11-4-3-10(7-23-11)12(28)27-14(30,16(20,21)22)6-9(2)25-27/h3-4,7,29-30H,5-6H2,1-2H3
InChIKeyCLNBWEJMMQHZQF-UHFFFAOYSA-N
MW439.32 g/mol
LogP2.39
Rot. Bonds2

About [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone

[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone (PubChem CID 139220130) has the molecular formula C16H15F6N5O3 and a molecular weight of 439.32 g/mol. Its IUPAC name is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone
PubChem CID139220130
Molecular FormulaC16H15F6N5O3
Molecular Weight439.32 g/mol
Exact Mass439.11
IUPAC Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone
SMILESCC1=NN(C(=O)c2ccc(N3N=C(C)CC3(O)C(F)(F)F)nc2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C16H15F6N5O3/c1-8-5-13(29,15(17,18)19)26(24-8)11-4-3-10(7-23-11)12(28)27-14(30,16(20,21)22)6-9(2)25-27/h3-4,7,29-30H,5-6H2,1-2H3
InChIKeyCLNBWEJMMQHZQF-UHFFFAOYSA-N
XLogP2.39
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone with MolForge

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Related Compounds

[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone
CID 615660
(4-ethoxyphenyl)-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 27510645
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
CID 578749
[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-2-ylmethanone
CID 1205463
(3-bromophenyl)-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 1097285
(2-chlorophenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 2859270
[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[4-[(4-methoxyphenoxy)methyl]phenyl]methanone
CID 998536
(2-aminophenyl)-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 693938
[4-[(2-chlorophenoxy)methyl]phenyl]-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 998496
(5-chloro-2-hydroxyphenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3288494
(4-chloro-1-methylpyrazol-5-yl)-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 40573603
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-propoxyphenyl)methanone
CID 5070158

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone?
The IUPAC name of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone (CID 139220130) is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone.
What is the SMILES notation for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone?
The canonical SMILES for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone is CC1=NN(C(=O)c2ccc(N3N=C(C)CC3(O)C(F)(F)F)nc2)C(O)(C(F)(F)F)C1.
What is the InChIKey of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone?
The InChIKey is CLNBWEJMMQHZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F6N5O3/c1-8-5-13(29,15(17,18)19)26(24-8)11-4-3-10(7-23-11)12(28)27-14(30,16(20,21)22)6-9(2)25-27/h3-4,7,29-30H,5-6H2,1-2H3.
What are the key properties of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone?
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone has a molecular weight of 439.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[6-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 139220130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).