2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol

C16H19F3N2O — CID 68593445

IUPAC2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol
SMILESCCC(CC)C(O)c1ccnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O/c1-3-11(4-2)15(22)14-9-10-20-21(14)13-7-5-12(6-8-13)16(17,18)19/h5-11,15,22H,3-4H2,1-2H3
InChIKeyVWOACZWYHNNJPC-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.36
Rot. Bonds5

About 2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol

2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol (PubChem CID 68593445) has the molecular formula C16H19F3N2O and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol
PubChem CID68593445
Molecular FormulaC16H19F3N2O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol
SMILESCCC(CC)C(O)c1ccnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O/c1-3-11(4-2)15(22)14-9-10-20-21(14)13-7-5-12(6-8-13)16(17,18)19/h5-11,15,22H,3-4H2,1-2H3
InChIKeyVWOACZWYHNNJPC-UHFFFAOYSA-N
XLogP4.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol?
The IUPAC name of 2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol (CID 68593445) is 2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol.
What is the SMILES notation for 2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol?
The canonical SMILES for 2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol is CCC(CC)C(O)c1ccnn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol?
The InChIKey is VWOACZWYHNNJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-3-11(4-2)15(22)14-9-10-20-21(14)13-7-5-12(6-8-13)16(17,18)19/h5-11,15,22H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol?
2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol has a molecular weight of 312.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol is sourced from PubChem (CID 68593445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).