(5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol

C8H11FN2O — CID 118948990

IUPAC(5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol
SMILESCn1nc(C2CC2)c(F)c1CO
InChIInChI=1S/C8H11FN2O/c1-11-6(4-12)7(9)8(10-11)5-2-3-5/h5,12H,2-4H2,1H3
InChIKeyXHEFIMFIVMVYBH-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.93
Rot. Bonds2

About (5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol

(5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol (PubChem CID 118948990) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is (5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol
PubChem CID118948990
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name(5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol
SMILESCn1nc(C2CC2)c(F)c1CO
InChIInChI=1S/C8H11FN2O/c1-11-6(4-12)7(9)8(10-11)5-2-3-5/h5,12H,2-4H2,1H3
InChIKeyXHEFIMFIVMVYBH-UHFFFAOYSA-N
XLogP0.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol?
The IUPAC name of (5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol (CID 118948990) is (5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol is Cn1nc(C2CC2)c(F)c1CO.
What is the InChIKey of (5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol?
The InChIKey is XHEFIMFIVMVYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-11-6(4-12)7(9)8(10-11)5-2-3-5/h5,12H,2-4H2,1H3.
What are the key properties of (5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol?
(5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol has a molecular weight of 170.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-4-fluoro-2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 118948990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).