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

C11H17F3N2O — CID 102385481

IUPAC2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
SMILESCCC(CC)C(O)c1c(C(F)(F)F)cnn1C
InChIInChI=1S/C11H17F3N2O/c1-4-7(5-2)10(17)9-8(11(12,13)14)6-15-16(9)3/h6-7,10,17H,4-5H2,1-3H3
InChIKeyOFSBCKDKLSBZQK-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.91
Rot. Bonds4

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

2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol (PubChem CID 102385481) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
PubChem CID102385481
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
SMILESCCC(CC)C(O)c1c(C(F)(F)F)cnn1C
InChIInChI=1S/C11H17F3N2O/c1-4-7(5-2)10(17)9-8(11(12,13)14)6-15-16(9)3/h6-7,10,17H,4-5H2,1-3H3
InChIKeyOFSBCKDKLSBZQK-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol?
The IUPAC name of 2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol (CID 102385481) is 2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol.
What is the SMILES notation for 2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol?
The canonical SMILES for 2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol is CCC(CC)C(O)c1c(C(F)(F)F)cnn1C.
What is the InChIKey of 2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol?
The InChIKey is OFSBCKDKLSBZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-4-7(5-2)10(17)9-8(11(12,13)14)6-15-16(9)3/h6-7,10,17H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol?
2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol has a molecular weight of 250.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol is sourced from PubChem (CID 102385481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).