1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde

C11H10F3N3OS — CID 113483553

IUPAC1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde
SMILESCCCn1cc(C=O)c(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C11H10F3N3OS/c1-2-3-17-4-7(5-18)9(16-17)10-15-8(6-19-10)11(12,13)14/h4-6H,2-3H2,1H3
InChIKeyCXYFHFPYTYJDMP-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.25
Rot. Bonds4

About 1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde

1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde (PubChem CID 113483553) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde
PubChem CID113483553
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde
SMILESCCCn1cc(C=O)c(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C11H10F3N3OS/c1-2-3-17-4-7(5-18)9(16-17)10-15-8(6-19-10)11(12,13)14/h4-6H,2-3H2,1H3
InChIKeyCXYFHFPYTYJDMP-UHFFFAOYSA-N
XLogP3.25
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde?
The IUPAC name of 1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde (CID 113483553) is 1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde?
The canonical SMILES for 1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde is CCCn1cc(C=O)c(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde?
The InChIKey is CXYFHFPYTYJDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-2-3-17-4-7(5-18)9(16-17)10-15-8(6-19-10)11(12,13)14/h4-6H,2-3H2,1H3.
What are the key properties of 1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde?
1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde has a molecular weight of 289.28 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 113483553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).