[(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C17H19F3N2O5 — CID 1231719

IUPAC[(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2N=C(C3CC3)C[C@@]2(O)C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C17H19F3N2O5/c1-25-12-6-10(7-13(26-2)14(12)27-3)15(23)22-16(24,17(18,19)20)8-11(21-22)9-4-5-9/h6-7,9,24H,4-5,8H2,1-3H3/t16-/m1/s1
InChIKeyYKBOURJNDBIUSA-MRXNPFEDSA-N
MW388.34 g/mol
LogP2.58
Rot. Bonds5

About [(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 1231719) has the molecular formula C17H19F3N2O5 and a molecular weight of 388.34 g/mol. Its IUPAC name is [(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID1231719
Molecular FormulaC17H19F3N2O5
Molecular Weight388.34 g/mol
Exact Mass388.12
IUPAC Name[(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2N=C(C3CC3)C[C@@]2(O)C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C17H19F3N2O5/c1-25-12-6-10(7-13(26-2)14(12)27-3)15(23)22-16(24,17(18,19)20)8-11(21-22)9-4-5-9/h6-7,9,24H,4-5,8H2,1-3H3/t16-/m1/s1
InChIKeyYKBOURJNDBIUSA-MRXNPFEDSA-N
XLogP2.58
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)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

[(5S)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 1079190
(2-bromophenyl)-[(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 40622435
[(5R)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-hydroxyphenyl)methanone
CID 1364904
1-[(5S)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone
CID 1282253
(2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 2959339
(3,4-dimethoxyphenyl)-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3152029
(3,4-dimethoxyphenyl)-[(5S)-5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 1079188
thiaziridin-2-yl-(3,4,5-trimethoxyphenyl)methanone
CID 142936854
[5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 3838990
1-[(5S)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
CID 94798233
[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 829909
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 1231719) is [(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2N=C(C3CC3)C[C@@]2(O)C(F)(F)F)cc(OC)c1OC.
What is the InChIKey of [(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is YKBOURJNDBIUSA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19F3N2O5/c1-25-12-6-10(7-13(26-2)14(12)27-3)15(23)22-16(24,17(18,19)20)8-11(21-22)9-4-5-9/h6-7,9,24H,4-5,8H2,1-3H3/t16-/m1/s1.
What are the key properties of [(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 388.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 1231719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).