1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide

C11H9ClF3N5O — CID 106768586

IUPAC1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2cc(Cl)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H9ClF3N5O/c1-19(2)9(21)6-3-4-20(18-6)8-5-7(12)16-10(17-8)11(13,14)15/h3-5H,1-2H3
InChIKeyPAHGHCOUPRPKQV-UHFFFAOYSA-N
MW319.67 g/mol
LogP2.04
Rot. Bonds2

About 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide

1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 106768586) has the molecular formula C11H9ClF3N5O and a molecular weight of 319.67 g/mol. Its IUPAC name is 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID106768586
Molecular FormulaC11H9ClF3N5O
Molecular Weight319.67 g/mol
Exact Mass319.04
IUPAC Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2cc(Cl)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H9ClF3N5O/c1-19(2)9(21)6-3-4-20(18-6)8-5-7(12)16-10(17-8)11(13,14)15/h3-5H,1-2H3
InChIKeyPAHGHCOUPRPKQV-UHFFFAOYSA-N
XLogP2.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide 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

1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide
CID 102716274
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 102919261
1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79827052
6-[3-(dimethylcarbamoyl)pyrazol-1-yl]pyridazine-3-carboxylic acid
CID 64781715
1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79727906
1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide
CID 64780614
1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64780954
4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 80951095
1-(6-chloro-4-cyano-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 83076446
1-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 114870573
1-(6-hydrazinylpyrazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 80904045
1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 79072535

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide (CID 106768586) is 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2cc(Cl)nc(C(F)(F)F)n2)n1.
What is the InChIKey of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is PAHGHCOUPRPKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5O/c1-19(2)9(21)6-3-4-20(18-6)8-5-7(12)16-10(17-8)11(13,14)15/h3-5H,1-2H3.
What are the key properties of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide?
1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 319.67 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 106768586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).