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

C8H11FN2O — CID 170601575

IUPAC4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole
SMILESCOCC1(c2[nH]ncc2F)CC1
InChIInChI=1S/C8H11FN2O/c1-12-5-8(2-3-8)7-6(9)4-10-11-7/h4H,2-3,5H2,1H3,(H,10,11)
InChIKeyWZBBZEMKJFVXJR-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.23
Rot. Bonds3

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

4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole (PubChem CID 170601575) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole.

Molecular Properties

Compound Name4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole
PubChem CID170601575
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole
SMILESCOCC1(c2[nH]ncc2F)CC1
InChIInChI=1S/C8H11FN2O/c1-12-5-8(2-3-8)7-6(9)4-10-11-7/h4H,2-3,5H2,1H3,(H,10,11)
InChIKeyWZBBZEMKJFVXJR-UHFFFAOYSA-N
XLogP1.23
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.23
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-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole
CID 176568097
5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole
CID 91529023
methyl 3-(3-(trifluoromethyl)-1H-pyrazol-4-yl)propanimidate
CID 121213234
{1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]cyclopropyl}methanol
CID 165629572
2,2-dimethyl-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 165633094
(1-{[3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}cyclopropyl)methanol
CID 165633095
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole?
The IUPAC name of 4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole (CID 170601575) is 4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole.
What is the SMILES notation for 4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole?
The canonical SMILES for 4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole is COCC1(c2[nH]ncc2F)CC1.
What is the InChIKey of 4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole?
The InChIKey is WZBBZEMKJFVXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-12-5-8(2-3-8)7-6(9)4-10-11-7/h4H,2-3,5H2,1H3,(H,10,11).
What are the key properties of 4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole?
4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole has a molecular weight of 170.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole is sourced from PubChem (CID 170601575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).