4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol

C10H15F3N2O2 — CID 103217211

IUPAC4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol
SMILESCn1nccc1CCC(O)COCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-15-8(4-5-14-15)2-3-9(16)6-17-7-10(11,12)13/h4-5,9,16H,2-3,6-7H2,1H3
InChIKeyUFKHMBDVKPQONE-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.29
Rot. Bonds6

About 4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol

4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol (PubChem CID 103217211) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol
PubChem CID103217211
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol
SMILESCn1nccc1CCC(O)COCC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-15-8(4-5-14-15)2-3-9(16)6-17-7-10(11,12)13/h4-5,9,16H,2-3,6-7H2,1H3
InChIKeyUFKHMBDVKPQONE-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol (CID 103217211) is 4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol is Cn1nccc1CCC(O)COCC(F)(F)F.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol?
The InChIKey is UFKHMBDVKPQONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-15-8(4-5-14-15)2-3-9(16)6-17-7-10(11,12)13/h4-5,9,16H,2-3,6-7H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol?
4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol has a molecular weight of 252.24 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethoxy)butan-2-ol is sourced from PubChem (CID 103217211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).