1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol

C10H15F3N2O — CID 126758599

IUPAC1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol
SMILESCc1c(C(C)(O)C(F)(F)F)cnn1C(C)C
InChIInChI=1S/C10H15F3N2O/c1-6(2)15-7(3)8(5-14-15)9(4,16)10(11,12)13/h5-6,16H,1-4H3
InChIKeyOTPGRLGFQRIVQC-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.54
Rot. Bonds2

About 1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol

1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol (PubChem CID 126758599) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol
PubChem CID126758599
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol
SMILESCc1c(C(C)(O)C(F)(F)F)cnn1C(C)C
InChIInChI=1S/C10H15F3N2O/c1-6(2)15-7(3)8(5-14-15)9(4,16)10(11,12)13/h5-6,16H,1-4H3
InChIKeyOTPGRLGFQRIVQC-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol (CID 126758599) is 1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol is Cc1c(C(C)(O)C(F)(F)F)cnn1C(C)C.
What is the InChIKey of 1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol?
The InChIKey is OTPGRLGFQRIVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-6(2)15-7(3)8(5-14-15)9(4,16)10(11,12)13/h5-6,16H,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol?
1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol has a molecular weight of 236.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 126758599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).