5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane

C11H15F3N2O2 — CID 142411406

IUPAC5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane
SMILESCCOC.O=Cc1c(C(F)(F)F)n[nH]c1C1CC1
InChIInChI=1S/C8H7F3N2O.C3H8O/c9-8(10,11)7-5(3-14)6(12-13-7)4-1-2-4;1-3-4-2/h3-4H,1-2H2,(H,12,13);3H2,1-2H3
InChIKeyKMNUERJUDQMPHN-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.77
Rot. Bonds3

About 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane

5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane (PubChem CID 142411406) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane.

Molecular Properties

Compound Name5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane
PubChem CID142411406
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane
SMILESCCOC.O=Cc1c(C(F)(F)F)n[nH]c1C1CC1
InChIInChI=1S/C8H7F3N2O.C3H8O/c9-8(10,11)7-5(3-14)6(12-13-7)4-1-2-4;1-3-4-2/h3-4H,1-2H2,(H,12,13);3H2,1-2H3
InChIKeyKMNUERJUDQMPHN-UHFFFAOYSA-N
XLogP2.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-methyl-3-(pentafluoroethyl)-1H-pyrazol-4-yl]ethanone
CID 919069
5-(2-chloroethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 57203151
2-(cyclopropanecarbonyl)-3-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-oxopropanenitrile
CID 67779335
1-cyclopropyl-3-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,3-dione
CID 67779533
5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 121213179
5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 121213180
ethyl 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 135303993
1-[3-(1-fluoroethyl)-5-methyl-1H-pyrazol-4-yl]ethanone
CID 146989934
5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 153724833
5-butyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 174578561
5-(2,2-difluoroethyl)-3-(difluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 174979088
1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropan-1-one
CID 10749581

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane?
The IUPAC name of 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane (CID 142411406) is 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane.
What is the SMILES notation for 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane?
The canonical SMILES for 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane is CCOC.O=Cc1c(C(F)(F)F)n[nH]c1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane?
The InChIKey is KMNUERJUDQMPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O.C3H8O/c9-8(10,11)7-5(3-14)6(12-13-7)4-1-2-4;1-3-4-2/h3-4H,1-2H2,(H,12,13);3H2,1-2H3.
What are the key properties of 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane?
5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane has a molecular weight of 264.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde;methoxyethane is sourced from PubChem (CID 142411406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).