5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide

C18H19F5N6O2 — CID 166528496

IUPAC5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide
SMILESCc1nn(CC2CCC(F)(F)CC2)c(C(=O)Nc2cnnc(C(N)=O)c2)c1C(F)(F)F
InChIInChI=1S/C18H19F5N6O2/c1-9-13(18(21,22)23)14(16(31)26-11-6-12(15(24)30)27-25-7-11)29(28-9)8-10-2-4-17(19,20)5-3-10/h6-7,10H,2-5,8H2,1H3,(H2,24,30)(H,26,27,31)
InChIKeyWKHWCAHSVVNHIW-UHFFFAOYSA-N
MW446.38 g/mol
LogP3.18
Rot. Bonds5

About 5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide

5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide (PubChem CID 166528496) has the molecular formula C18H19F5N6O2 and a molecular weight of 446.38 g/mol. Its IUPAC name is 5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide
PubChem CID166528496
Molecular FormulaC18H19F5N6O2
Molecular Weight446.38 g/mol
Exact Mass446.15
IUPAC Name5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide
SMILESCc1nn(CC2CCC(F)(F)CC2)c(C(=O)Nc2cnnc(C(N)=O)c2)c1C(F)(F)F
InChIInChI=1S/C18H19F5N6O2/c1-9-13(18(21,22)23)14(16(31)26-11-6-12(15(24)30)27-25-7-11)29(28-9)8-10-2-4-17(19,20)5-3-10/h6-7,10H,2-5,8H2,1H3,(H2,24,30)(H,26,27,31)
InChIKeyWKHWCAHSVVNHIW-UHFFFAOYSA-N
XLogP3.18
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide?
The IUPAC name of 5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide (CID 166528496) is 5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for 5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide?
The canonical SMILES for 5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide is Cc1nn(CC2CCC(F)(F)CC2)c(C(=O)Nc2cnnc(C(N)=O)c2)c1C(F)(F)F.
What is the InChIKey of 5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide?
The InChIKey is WKHWCAHSVVNHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F5N6O2/c1-9-13(18(21,22)23)14(16(31)26-11-6-12(15(24)30)27-25-7-11)29(28-9)8-10-2-4-17(19,20)5-3-10/h6-7,10H,2-5,8H2,1H3,(H2,24,30)(H,26,27,31).
What are the key properties of 5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide?
5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide has a molecular weight of 446.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 166528496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).