3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide

C19H12F6N4O3 — CID 171093682

IUPAC3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2cccc3c2OCO3)c(C(F)(F)F)c1C(=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N4O3/c1-29-15(17(30)27-9-5-6-26-12(7-9)18(20,21)22)13(19(23,24)25)14(28-29)10-3-2-4-11-16(10)32-8-31-11/h2-7H,8H2,1H3,(H,26,27,30)
InChIKeyDCOKSCCVWLAVDQ-UHFFFAOYSA-N
MW458.32 g/mol
LogP4.50
Rot. Bonds3

About 3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide

3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide (PubChem CID 171093682) has the molecular formula C19H12F6N4O3 and a molecular weight of 458.32 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
PubChem CID171093682
Molecular FormulaC19H12F6N4O3
Molecular Weight458.32 g/mol
Exact Mass458.08
IUPAC Name3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2cccc3c2OCO3)c(C(F)(F)F)c1C(=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N4O3/c1-29-15(17(30)27-9-5-6-26-12(7-9)18(20,21)22)13(19(23,24)25)14(28-29)10-3-2-4-11-16(10)32-8-31-11/h2-7H,8H2,1H3,(H,26,27,30)
InChIKeyDCOKSCCVWLAVDQ-UHFFFAOYSA-N
XLogP4.50
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-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-methyl-3-(3-oxo-4H-1,4-benzoxazin-8-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093636
1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093563
1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093549
1-methyl-3-[[2-[3-[methyl-[1-methyl-4-(trifluoromethyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]pyrazol-3-yl]amino]phenyl]phenoxy]methyl]-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093794
4-cyclopropyl-3-(2-methylbenzotriazol-4-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide
CID 171095920
3-cyclopropyl-1-methyl-N-(2-methylsulfanyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide;oxolane
CID 166528777
4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane
CID 166528731
1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide
CID 156577181
N-[3-(2-chloro-4-methylphenyl)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 171093850
3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
CID 118295593
3-chloro-4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-1-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
CID 118295581
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide (CID 171093682) is 3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide is Cn1nc(-c2cccc3c2OCO3)c(C(F)(F)F)c1C(=O)Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The InChIKey is DCOKSCCVWLAVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N4O3/c1-29-15(17(30)27-9-5-6-26-12(7-9)18(20,21)22)13(19(23,24)25)14(28-29)10-3-2-4-11-16(10)32-8-31-11/h2-7H,8H2,1H3,(H,26,27,30).
What are the key properties of 3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 458.32 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 171093682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).