[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

C19H13F4N3O2S — CID 3331217

IUPAC[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccccc12)N1N=C(C(F)F)CC1(O)C(F)F
InChIInChI=1S/C19H13F4N3O2S/c20-16(21)14-9-19(28,18(22)23)26(25-14)17(27)11-8-13(15-6-3-7-29-15)24-12-5-2-1-4-10(11)12/h1-8,16,18,28H,9H2
InChIKeyXZVYMDCCGRDFQV-UHFFFAOYSA-N
MW423.39 g/mol
LogP4.38
Rot. Bonds4

About [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone (PubChem CID 3331217) has the molecular formula C19H13F4N3O2S and a molecular weight of 423.39 g/mol. Its IUPAC name is [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
PubChem CID3331217
Molecular FormulaC19H13F4N3O2S
Molecular Weight423.39 g/mol
Exact Mass423.07
IUPAC Name[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccccc12)N1N=C(C(F)F)CC1(O)C(F)F
InChIInChI=1S/C19H13F4N3O2S/c20-16(21)14-9-19(28,18(22)23)26(25-14)17(27)11-8-13(15-6-3-7-29-15)24-12-5-2-1-4-10(11)12/h1-8,16,18,28H,9H2
InChIKeyXZVYMDCCGRDFQV-UHFFFAOYSA-N
XLogP4.38
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)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

[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 5205838
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-chlorophenyl)quinolin-4-yl]methanone
CID 3450418
[(5S)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone
CID 40737820
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(2,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 4069317
[(5S)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]methanone
CID 28964118
[(5S)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone
CID 40737853
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 4584269
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 42470155
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 56510738
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119559766
ethyl 4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate
CID 35508684

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The IUPAC name of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone (CID 3331217) is [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The canonical SMILES for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone is O=C(c1cc(-c2cccs2)nc2ccccc12)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]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The InChIKey is XZVYMDCCGRDFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2S/c20-16(21)14-9-19(28,18(22)23)26(25-14)17(27)11-8-13(15-6-3-7-29-15)24-12-5-2-1-4-10(11)12/h1-8,16,18,28H,9H2.
What are the key properties of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone has a molecular weight of 423.39 g/mol, XLogP of 4.38, 4 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]-(2-thiophen-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 3331217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).