1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde

C14H8F3N3O — CID 135169863

IUPAC1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(-c2cccc3ncccc23)c1C(F)(F)F
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)13-9(8-21)7-19-20(13)12-5-1-4-11-10(12)3-2-6-18-11/h1-8H
InChIKeyUKQNMYMMTDELBZ-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.25
Rot. Bonds2

About 1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde

1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde (PubChem CID 135169863) has the molecular formula C14H8F3N3O and a molecular weight of 291.23 g/mol. Its IUPAC name is 1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde
PubChem CID135169863
Molecular FormulaC14H8F3N3O
Molecular Weight291.23 g/mol
Exact Mass291.06
IUPAC Name1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(-c2cccc3ncccc23)c1C(F)(F)F
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)13-9(8-21)7-19-20(13)12-5-1-4-11-10(12)3-2-6-18-11/h1-8H
InChIKeyUKQNMYMMTDELBZ-UHFFFAOYSA-N
XLogP3.25
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-quinolin-5-yl-5-(trifluoromethyl)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

5-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazole-4-carboxylic acid
CID 135132296
1-quinolin-5-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134610182
quinoline-5-carbaldehyde;hydrochloride
CID 174461977
N-[3-chloro-4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 137277273
N-(5-isocyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 140879746
N-(5-cyano-6-cyclopropyl-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175593789
N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610153
1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24573002
N-[5-chloro-6-(triazolo[4,5-c]pyridin-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610001
N-[3-methylsulfonyl-4-(triazol-1-yl)phenyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610088
N-[5-chloro-6-(4-cyanotriazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609953
N-[5-chloro-6-(5-cyanotriazol-1-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609813

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde (CID 135169863) is 1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde is O=Cc1cnn(-c2cccc3ncccc23)c1C(F)(F)F.
What is the InChIKey of 1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde?
The InChIKey is UKQNMYMMTDELBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O/c15-14(16,17)13-9(8-21)7-19-20(13)12-5-1-4-11-10(12)3-2-6-18-11/h1-8H.
What are the key properties of 1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde?
1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde has a molecular weight of 291.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 135169863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).