N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide

C21H19F3N4O — CID 90465135

IUPACN-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cc(-c2cn(CC(F)F)nc2-c2ccc(F)cc2)ccn1)C1CCC1
InChIInChI=1S/C21H19F3N4O/c22-16-6-4-13(5-7-16)20-17(11-28(27-20)12-18(23)24)15-8-9-25-19(10-15)26-21(29)14-2-1-3-14/h4-11,14,18H,1-3,12H2,(H,25,26,29)
InChIKeyUUJIIBBQHXWQHM-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.75
Rot. Bonds6

About N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide

N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 90465135) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide
PubChem CID90465135
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC NameN-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cc(-c2cn(CC(F)F)nc2-c2ccc(F)cc2)ccn1)C1CCC1
InChIInChI=1S/C21H19F3N4O/c22-16-6-4-13(5-7-16)20-17(11-28(27-20)12-18(23)24)15-8-9-25-19(10-15)26-21(29)14-2-1-3-14/h4-11,14,18H,1-3,12H2,(H,25,26,29)
InChIKeyUUJIIBBQHXWQHM-UHFFFAOYSA-N
XLogP4.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465277
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 129017972
N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 67073655
3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 90465355
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331
N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465334
1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 167842832
N-[4-[2-(4-fluorophenyl)-5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 170327423
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67107014
N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 90465344
N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465171
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465352

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide (CID 90465135) is N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide is O=C(Nc1cc(-c2cn(CC(F)F)nc2-c2ccc(F)cc2)ccn1)C1CCC1.
What is the InChIKey of N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is UUJIIBBQHXWQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c22-16-6-4-13(5-7-16)20-17(11-28(27-20)12-18(23)24)15-8-9-25-19(10-15)26-21(29)14-2-1-3-14/h4-11,14,18H,1-3,12H2,(H,25,26,29).
What are the key properties of N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide?
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 400.40 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 90465135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).