5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole

C9H13FN2O — CID 176568097

IUPAC5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole
SMILESCCOCC1(c2[nH]ncc2F)CC1
InChIInChI=1S/C9H13FN2O/c1-2-13-6-9(3-4-9)8-7(10)5-11-12-8/h5H,2-4,6H2,1H3,(H,11,12)
InChIKeyYXYOFEHVDGZGAR-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.62
Rot. Bonds4

About 5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole

5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole (PubChem CID 176568097) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole.

Molecular Properties

Compound Name5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole
PubChem CID176568097
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole
SMILESCCOCC1(c2[nH]ncc2F)CC1
InChIInChI=1S/C9H13FN2O/c1-2-13-6-9(3-4-9)8-7(10)5-11-12-8/h5H,2-4,6H2,1H3,(H,11,12)
InChIKeyYXYOFEHVDGZGAR-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole
CID 146392604
5-(2,2-dimethoxypropyl)-4-fluoro-1H-pyrazole
CID 169732778
4-fluoro-5-[1-(propan-2-yloxymethyl)cyclopropyl]-1H-pyrazole
CID 170411878
5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole
CID 91529023
{1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]cyclopropyl}methanol
CID 165629572
1-{1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]cyclopropyl}ethan-1-ol
CID 165673419
O-({1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]cyclopropyl}methyl)hydroxylamine
CID 165685969
2-(3-tert-butyl-1H-pyrazol-4-yl)-2,2-difluoroethan-1-ol
CID 165708710
{2,2-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]cyclopropyl}methanol
CID 165751830
4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole
CID 170601575
4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole
CID 58477502
4-ethyl-5-(2-methoxyethyl)-1H-pyrazole
CID 68223161

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole?
The IUPAC name of 5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole (CID 176568097) is 5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole.
What is the SMILES notation for 5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole?
The canonical SMILES for 5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole is CCOCC1(c2[nH]ncc2F)CC1.
What is the InChIKey of 5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole?
The InChIKey is YXYOFEHVDGZGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-2-13-6-9(3-4-9)8-7(10)5-11-12-8/h5H,2-4,6H2,1H3,(H,11,12).
What are the key properties of 5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole?
5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole has a molecular weight of 184.21 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole is sourced from PubChem (CID 176568097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).