1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde

C7H7F3N2O — CID 97182145

IUPAC1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde
SMILESCCn1nc(C(F)(F)F)cc1C=O
InChIInChI=1S/C7H7F3N2O/c1-2-12-5(4-13)3-6(11-12)7(8,9)10/h3-4H,2H2,1H3
InChIKeyZSWKBVVPDPLSRV-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.73
Rot. Bonds2

About 1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde

1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde (PubChem CID 97182145) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde
PubChem CID97182145
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde
SMILESCCn1nc(C(F)(F)F)cc1C=O
InChIInChI=1S/C7H7F3N2O/c1-2-12-5(4-13)3-6(11-12)7(8,9)10/h3-4H,2H2,1H3
InChIKeyZSWKBVVPDPLSRV-UHFFFAOYSA-N
XLogP1.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethyl-1H-pyrazole-3-carbaldehyde
CID 7017101
1-Ethyl-3-methyl-1H-pyrazole-5-carbonyl chloride
CID 2737415
1,3-dimethyl-1H-pyrazole-5-carbaldehyde
CID 2776362
1-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)ethan-1-one
CID 19619407
1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carbaldehyde
CID 54019478
1H-Pyrazole-3-carboxaldehyde, 1-(2,2,2-trifluoroethyl)-
CID 54556375
1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
CID 57440995
1-ethyl-3-methyl-1H-pyrazole-5-carbaldehyde
CID 57440999
3-ethyl-1-methyl-1H-pyrazole-5-carbaldehyde
CID 57441001
1-methyl-3-(propan-2-yl)-1H-pyrazole-5-carbaldehyde
CID 57441002
1-(2,2-difluoroethyl)-1H-pyrazole-3-carbaldehyde
CID 60136487
1-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)ethanone
CID 75175984

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde (CID 97182145) is 1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde is CCn1nc(C(F)(F)F)cc1C=O.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde?
The InChIKey is ZSWKBVVPDPLSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-2-12-5(4-13)3-6(11-12)7(8,9)10/h3-4H,2H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde?
1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde has a molecular weight of 192.14 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)pyrazole-5-carbaldehyde is sourced from PubChem (CID 97182145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).