2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol

C10H15F3N2O — CID 151815406

IUPAC2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol
SMILESCCc1c(C(F)(F)F)c(C(C)(C)O)nn1C
InChIInChI=1S/C10H15F3N2O/c1-5-6-7(10(11,12)13)8(9(2,3)16)14-15(6)4/h16H,5H2,1-4H3
InChIKeySBMIAKMPMOTHIP-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.23
Rot. Bonds2

About 2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol

2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol (PubChem CID 151815406) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol
PubChem CID151815406
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol
SMILESCCc1c(C(F)(F)F)c(C(C)(C)O)nn1C
InChIInChI=1S/C10H15F3N2O/c1-5-6-7(10(11,12)13)8(9(2,3)16)14-15(6)4/h16H,5H2,1-4H3
InChIKeySBMIAKMPMOTHIP-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,5-dimethyl-1H-pyrazol-3-yl)propan-2-ol
CID 53355523
2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
CID 70967738
2-[1-Methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]propan-2-ol
CID 71055468
2-[4-Bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol
CID 71055469
3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol
CID 71204663
2-(4-Fluoro-1,5-dimethylpyrazol-3-yl)propan-2-ol
CID 89147283
3-(Difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol
CID 90167577
1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
CID 90167982
3-(difluoromethyl)-1,7-dimethyl-5,6-dihydro-4H-indazol-7-ol
CID 90167985
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-ol
CID 90167987
2-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol
CID 117670210
1-(4-Fluoro-1,5-dimethylpyrazol-3-yl)ethanol
CID 117670280

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol (CID 151815406) is 2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol is CCc1c(C(F)(F)F)c(C(C)(C)O)nn1C.
What is the InChIKey of 2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol?
The InChIKey is SBMIAKMPMOTHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-5-6-7(10(11,12)13)8(9(2,3)16)14-15(6)4/h16H,5H2,1-4H3.
What are the key properties of 2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol?
2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol has a molecular weight of 236.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 151815406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).