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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 75358486
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 91938267
2-(1-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carbaldehyde
CID 65195790
N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
CID 95119568
N-cyclopropyl-N-(1,3-thiazol-4-yl-methyl)-1-methyl-3-difluoromethyl-pyrazole-4-carboxamide
CID 67397219
N-cyclopropyl-1,3-dimethyl-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrazole-4-carboxamide
CID 68229650
1-[[4-(1,1-Difluoroethyl)-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide
CID 70864557
2-Methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 117761837
4-(Difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide
CID 161347312
2-[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3-thiazole-5-carbaldehyde
CID 176371396
2-[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]-1,3-thiazole-5-carbaldehyde
CID 176371514
4-Formyl 5-thiazolyl pyrazole
CID 63991234

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).