(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol

C19H18F3N3O2 — CID 2438814

IUPAC(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@](O)(c2c(C)nn(-c3ccccc3)c2N)C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O2/c1-12-16(17(23)25(24-12)14-6-4-3-5-7-14)18(26,19(20,21)22)13-8-10-15(27-2)11-9-13/h3-11,26H,23H2,1-2H3/t18-/m0/s1
InChIKeyQXXCPSIDMSGKHZ-SFHVURJKSA-N
MW377.37 g/mol
LogP3.57
Rot. Bonds4

About (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol

(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol (PubChem CID 2438814) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol
PubChem CID2438814
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@](O)(c2c(C)nn(-c3ccccc3)c2N)C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O2/c1-12-16(17(23)25(24-12)14-6-4-3-5-7-14)18(26,19(20,21)22)13-8-10-15(27-2)11-9-13/h3-11,26H,23H2,1-2H3/t18-/m0/s1
InChIKeyQXXCPSIDMSGKHZ-SFHVURJKSA-N
XLogP3.57
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol
CID 2393055
2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1-trifluoropropan-2-ol
CID 4287677
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980493
1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
CID 101497117
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 88773612
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980497
(2S)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-ol
CID 2478649
ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
CID 135372866
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 6200239
1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
CID 101497115
3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine
CID 10149447

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol (CID 2438814) is (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol is COc1ccc([C@](O)(c2c(C)nn(-c3ccccc3)c2N)C(F)(F)F)cc1.
What is the InChIKey of (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol?
The InChIKey is QXXCPSIDMSGKHZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-12-16(17(23)25(24-12)14-6-4-3-5-7-14)18(26,19(20,21)22)13-8-10-15(27-2)11-9-13/h3-11,26H,23H2,1-2H3/t18-/m0/s1.
What are the key properties of (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol?
(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol has a molecular weight of 377.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 2438814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).