(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol

C10H17FN2O — CID 139090699

IUPAC(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol
SMILESCCC(CC)[C@H](O)c1c(F)cnn1C
InChIInChI=1S/C10H17FN2O/c1-4-7(5-2)10(14)9-8(11)6-12-13(9)3/h6-7,10,14H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyIJJTVNVAIXJXEH-JTQLQIEISA-N
MW200.26 g/mol
LogP2.03
Rot. Bonds4

About (1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol

(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol (PubChem CID 139090699) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is (1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol
PubChem CID139090699
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol
SMILESCCC(CC)[C@H](O)c1c(F)cnn1C
InChIInChI=1S/C10H17FN2O/c1-4-7(5-2)10(14)9-8(11)6-12-13(9)3/h6-7,10,14H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyIJJTVNVAIXJXEH-JTQLQIEISA-N
XLogP2.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol?
The IUPAC name of (1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol (CID 139090699) is (1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol.
What is the SMILES notation for (1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol?
The canonical SMILES for (1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol is CCC(CC)[C@H](O)c1c(F)cnn1C.
What is the InChIKey of (1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol?
The InChIKey is IJJTVNVAIXJXEH-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17FN2O/c1-4-7(5-2)10(14)9-8(11)6-12-13(9)3/h6-7,10,14H,4-5H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol?
(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol has a molecular weight of 200.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol is sourced from PubChem (CID 139090699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).