1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

C10H15F3N2O2 — CID 103147479

IUPAC1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESCCn1nccc1C(O)CCOCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-2-15-8(3-5-14-15)9(16)4-6-17-7-10(11,12)13/h3,5,9,16H,2,4,6-7H2,1H3
InChIKeySMMVMFLXIRBZTD-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.91
Rot. Bonds6

About 1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 103147479) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID103147479
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESCCn1nccc1C(O)CCOCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-2-15-8(3-5-14-15)9(16)4-6-17-7-10(11,12)13/h3,5,9,16H,2,4,6-7H2,1H3
InChIKeySMMVMFLXIRBZTD-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151691
1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148342
2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol
CID 112575208
1-(1-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103210161
2-(dimethylamino)-1-(2-ethylpyrazol-3-yl)ethanol
CID 79087393
1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
CID 63975289
1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 55257533
(2-ethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975893
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148325
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 103147504
1-(2-ethylpyrazol-3-yl)-2-propylsulfanylethanol
CID 65129474
1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol
CID 115622254

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 103147479) is 1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is CCn1nccc1C(O)CCOCC(F)(F)F.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is SMMVMFLXIRBZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-2-15-8(3-5-14-15)9(16)4-6-17-7-10(11,12)13/h3,5,9,16H,2,4,6-7H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 252.24 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 103147479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).