1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde

C7H7F3N2O2 — CID 139675274

IUPAC1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
SMILESCOCn1cc(C=O)c(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2/c1-14-4-12-2-5(3-13)6(11-12)7(8,9)10/h2-3H,4H2,1H3
InChIKeyFWZWMXYMWCFMOY-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.32
Rot. Bonds3

About 1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde

1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde (PubChem CID 139675274) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
PubChem CID139675274
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
SMILESCOCn1cc(C=O)c(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2/c1-14-4-12-2-5(3-13)6(11-12)7(8,9)10/h2-3H,4H2,1H3
InChIKeyFWZWMXYMWCFMOY-UHFFFAOYSA-N
XLogP1.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 175233372
1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 139674868
1-(methoxymethyl)-4-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 69317917
1-(2,3,4,5,6-pentafluorophenyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 139675028
1-(2-methoxy-6-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 171826299
2-[4-methoxycarbonyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 121213295
1,4-diethyl-3-(trifluoromethyl)pyrazole
CID 155736271
4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 90162148
3-methoxy-1-propylpyrazole-4-carbaldehyde
CID 139675382
1-ethyl-4-nitro-3-(trifluoromethyl)pyrazole
CID 97182144
1,3-diethylpyrazole-4-carbaldehyde
CID 23005660
4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole
CID 171111656

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde (CID 139675274) is 1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde is COCn1cc(C=O)c(C(F)(F)F)n1.
What is the InChIKey of 1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The InChIKey is FWZWMXYMWCFMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-14-4-12-2-5(3-13)6(11-12)7(8,9)10/h2-3H,4H2,1H3.
What are the key properties of 1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde has a molecular weight of 208.14 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 139675274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).