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

C18H16F3N3O — CID 2393055

IUPAC(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol
SMILESCc1nn(-c2ccccc2)c(N)c1[C@@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H16F3N3O/c1-12-15(16(22)24(23-12)14-10-6-3-7-11-14)17(25,18(19,20)21)13-8-4-2-5-9-13/h2-11,25H,22H2,1H3/t17-/m0/s1
InChIKeyMEJVIFLTTFBBFZ-KRWDZBQOSA-N
MW347.34 g/mol
LogP3.56
Rot. Bonds3

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

(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol (PubChem CID 2393055) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol.

Molecular Properties

Compound Name(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol
PubChem CID2393055
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol
SMILESCc1nn(-c2ccccc2)c(N)c1[C@@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H16F3N3O/c1-12-15(16(22)24(23-12)14-10-6-3-7-11-14)17(25,18(19,20)21)13-8-4-2-5-9-13/h2-11,25H,22H2,1H3/t17-/m0/s1
InChIKeyMEJVIFLTTFBBFZ-KRWDZBQOSA-N
XLogP3.56
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol
CID 2438814
2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1-trifluoropropan-2-ol
CID 4287677
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 88773612
1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
CID 101497117
(2S)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-(1,3-benzothiazol-2-ylsulfanyl)-1,1,1-trifluoropropan-2-ol
CID 2478649
3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine
CID 10149447
1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
CID 101497115
2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 164662725
1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine
CID 56954316
methyl (2S)-2-[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyran-3-yl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 172875799
5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 25148512
4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
CID 82393477

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol?
The IUPAC name of (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol (CID 2393055) is (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol.
What is the SMILES notation for (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol?
The canonical SMILES for (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol is Cc1nn(-c2ccccc2)c(N)c1[C@@](O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol?
The InChIKey is MEJVIFLTTFBBFZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-12-15(16(22)24(23-12)14-10-6-3-7-11-14)17(25,18(19,20)21)13-8-4-2-5-9-13/h2-11,25H,22H2,1H3/t17-/m0/s1.
What are the key properties of (1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol?
(1S)-1-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoro-1-phenylethanol has a molecular weight of 347.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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-phenylethanol is sourced from PubChem (CID 2393055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).