4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C19H19F3N6O2 — CID 175969948

IUPAC4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnccc1Nc1ccc(-c2cnn(C(C)C)c2)cc1OC(F)(F)F
InChIInChI=1S/C19H19F3N6O2/c1-11(2)28-10-13(9-25-28)12-4-5-14(16(8-12)30-19(20,21)22)26-15-6-7-24-27-17(15)18(29)23-3/h4-11H,1-3H3,(H,23,29)(H,24,26)/i3D3
InChIKeyQHBPLLUNIQQPKS-HPRDVNIFSA-N
MW423.41 g/mol
LogP3.92
Rot. Bonds7

About 4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 175969948) has the molecular formula C19H19F3N6O2 and a molecular weight of 423.41 g/mol. Its IUPAC name is 4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID175969948
Molecular FormulaC19H19F3N6O2
Molecular Weight423.41 g/mol
Exact Mass423.17
IUPAC Name4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnccc1Nc1ccc(-c2cnn(C(C)C)c2)cc1OC(F)(F)F
InChIInChI=1S/C19H19F3N6O2/c1-11(2)28-10-13(9-25-28)12-4-5-14(16(8-12)30-19(20,21)22)26-15-6-7-24-27-17(15)18(29)23-3/h4-11H,1-3H3,(H,23,29)(H,24,26)/i3D3
InChIKeyQHBPLLUNIQQPKS-HPRDVNIFSA-N
XLogP3.92
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid
CID 172868751
methyl 1-methyl-6-(1-propan-2-ylpyrazol-4-yl)indole-3-carboxylate
CID 171476984
4-[(6-methyl-5H-pyrimido[5,4-c]quinolin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963342
4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]-1-propan-2-ylpyrazole
CID 71286142
2-methyl-4-(1-propan-2-ylpyrazol-4-yl)benzoic acid
CID 162677620
4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175977984
N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide
CID 175978064
N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide
CID 175957118
2-(1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethoxy)aniline
CID 171391053
N-[5-[4-(1-cyclopropylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)anilino]-6-(ethylaminocarbamoyl)pyridazin-3-yl]cyclopropanecarboxamide
CID 171532645
4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175978022
N-methoxy-1-propan-2-ylpyrazole-4-carboxamide
CID 130683619

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 175969948) is 4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnccc1Nc1ccc(-c2cnn(C(C)C)c2)cc1OC(F)(F)F.
What is the InChIKey of 4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is QHBPLLUNIQQPKS-HPRDVNIFSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-11(2)28-10-13(9-25-28)12-4-5-14(16(8-12)30-19(20,21)22)26-15-6-7-24-27-17(15)18(29)23-3/h4-11H,1-3H3,(H,23,29)(H,24,26)/i3D3.
What are the key properties of 4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 423.41 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 175969948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).