4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide

C19H20F5N5O2 — CID 171772144

IUPAC4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
SMILESCc1c(C(C)(F)F)nn(CC2(C)CC2C(F)(F)F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C19H20F5N5O2/c1-9-13(16(31)27-10-4-5-26-11(6-10)15(25)30)29(28-14(9)18(3,20)21)8-17(2)7-12(17)19(22,23)24/h4-6,12H,7-8H2,1-3H3,(H2,25,30)(H,26,27,31)
InChIKeyKQSVYDAHYWLWJZ-UHFFFAOYSA-N
MW445.39 g/mol
LogP3.64
Rot. Bonds6

About 4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide

4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 171772144) has the molecular formula C19H20F5N5O2 and a molecular weight of 445.39 g/mol. Its IUPAC name is 4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
PubChem CID171772144
Molecular FormulaC19H20F5N5O2
Molecular Weight445.39 g/mol
Exact Mass445.15
IUPAC Name4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide
SMILESCc1c(C(C)(F)F)nn(CC2(C)CC2C(F)(F)F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C19H20F5N5O2/c1-9-13(16(31)27-10-4-5-26-11(6-10)15(25)30)29(28-14(9)18(3,20)21)8-17(2)7-12(17)19(22,23)24/h4-6,12H,7-8H2,1-3H3,(H2,25,30)(H,26,27,31)
InChIKeyKQSVYDAHYWLWJZ-UHFFFAOYSA-N
XLogP3.64
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide (CID 171772144) is 4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide is Cc1c(C(C)(F)F)nn(CC2(C)CC2C(F)(F)F)c1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is KQSVYDAHYWLWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F5N5O2/c1-9-13(16(31)27-10-4-5-26-11(6-10)15(25)30)29(28-14(9)18(3,20)21)8-17(2)7-12(17)19(22,23)24/h4-6,12H,7-8H2,1-3H3,(H2,25,30)(H,26,27,31).
What are the key properties of 4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide?
4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 445.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1,1-difluoroethyl)-4-methyl-1-[[1-methyl-2-(trifluoromethyl)cyclopropyl]methyl]pyrazole-5-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 171772144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).