N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H15F5N6O2 — CID 177050158

IUPACN-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCn2nc(-c3ccnc(OC(F)F)c3)cc21
InChIInChI=1S/C18H15F5N6O2/c1-28-13(8-14(27-28)18(21,22)23)16(30)25-10-3-5-29-12(10)7-11(26-29)9-2-4-24-15(6-9)31-17(19)20/h2,4,6-8,10,17H,3,5H2,1H3,(H,25,30)/t10-/m0/s1
InChIKeyYFMLGHFVXJVHKJ-JTQLQIEISA-N
MW442.35 g/mol
LogP3.17
Rot. Bonds5

About N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 177050158) has the molecular formula C18H15F5N6O2 and a molecular weight of 442.35 g/mol. Its IUPAC name is N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID177050158
Molecular FormulaC18H15F5N6O2
Molecular Weight442.35 g/mol
Exact Mass442.12
IUPAC NameN-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCn2nc(-c3ccnc(OC(F)F)c3)cc21
InChIInChI=1S/C18H15F5N6O2/c1-28-13(8-14(27-28)18(21,22)23)16(30)25-10-3-5-29-12(10)7-11(26-29)9-2-4-24-15(6-9)31-17(19)20/h2,4,6-8,10,17H,3,5H2,1H3,(H,25,30)/t10-/m0/s1
InChIKeyYFMLGHFVXJVHKJ-JTQLQIEISA-N
XLogP3.17
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

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Related Compounds

1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44431899
(1-Methyl-4-phenylpyrazol-5-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412014
US11034658, Example 34
CID 153296686
US11034658, Example 13
CID 153296703
US11034658, Example 31
CID 153296707
US11034658, Example 16
CID 153296747
US11034658, Example 41
CID 153296757
US11034658, Example 19
CID 153296819
US11034658, Example 23
CID 162370418
US10022354, Example 13
CID 121279551
3-methyl-1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44431915
US9586948, Example 21
CID 117871895

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 177050158) is N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCn2nc(-c3ccnc(OC(F)F)c3)cc21.
What is the InChIKey of N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is YFMLGHFVXJVHKJ-JTQLQIEISA-N. The full InChI is InChI=1S/C18H15F5N6O2/c1-28-13(8-14(27-28)18(21,22)23)16(30)25-10-3-5-29-12(10)7-11(26-29)9-2-4-24-15(6-9)31-17(19)20/h2,4,6-8,10,17H,3,5H2,1H3,(H,25,30)/t10-/m0/s1.
What are the key properties of N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 442.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 177050158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).