5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole

C9H13FN2O — CID 134393570

IUPAC5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole
SMILESCC1(CCOc2cc(F)[nH]n2)CC1
InChIInChI=1S/C9H13FN2O/c1-9(2-3-9)4-5-13-8-6-7(10)11-12-8/h6H,2-5H2,1H3,(H,11,12)
InChIKeyQPHSPGCEFNNXLK-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.12
Rot. Bonds4

About 5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole

5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole (PubChem CID 134393570) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole.

Molecular Properties

Compound Name5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole
PubChem CID134393570
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole
SMILESCC1(CCOc2cc(F)[nH]n2)CC1
InChIInChI=1S/C9H13FN2O/c1-9(2-3-9)4-5-13-8-6-7(10)11-12-8/h6H,2-5H2,1H3,(H,11,12)
InChIKeyQPHSPGCEFNNXLK-UHFFFAOYSA-N
XLogP2.12
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole?
The IUPAC name of 5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole (CID 134393570) is 5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole.
What is the SMILES notation for 5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole?
The canonical SMILES for 5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole is CC1(CCOc2cc(F)[nH]n2)CC1.
What is the InChIKey of 5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole?
The InChIKey is QPHSPGCEFNNXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-9(2-3-9)4-5-13-8-6-7(10)11-12-8/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole?
5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole has a molecular weight of 184.21 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[2-(1-methylcyclopropyl)ethoxy]-1H-pyrazole is sourced from PubChem (CID 134393570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).