3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide

C20H18F3N5O2 — CID 1482268

IUPAC3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)n1cc(-c2ccccn2)c(N2CCOCC2)n1
InChIInChI=1S/C20H18F3N5O2/c21-20(22,23)14-4-3-5-15(12-14)25-19(29)28-13-16(17-6-1-2-7-24-17)18(26-28)27-8-10-30-11-9-27/h1-7,12-13H,8-11H2,(H,25,29)
InChIKeyUUSYTIHURXSSDR-UHFFFAOYSA-N
MW417.39 g/mol
LogP3.88
Rot. Bonds3

About 3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide

3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide (PubChem CID 1482268) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is 3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
PubChem CID1482268
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC Name3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)n1cc(-c2ccccn2)c(N2CCOCC2)n1
InChIInChI=1S/C20H18F3N5O2/c21-20(22,23)14-4-3-5-15(12-14)25-19(29)28-13-16(17-6-1-2-7-24-17)18(26-28)27-8-10-30-11-9-27/h1-7,12-13H,8-11H2,(H,25,29)
InChIKeyUUSYTIHURXSSDR-UHFFFAOYSA-N
XLogP3.88
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

BI-1935
CID 57861407
1-(2-fluoroethyl)-3-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
CID 44606131
1-methyl-3-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
CID 44606304
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[2-(morpholin-4-yl)pyridin-4-yl]pyrimidin-4-yl]acetamide
CID 25138085
US10323022, Example 511
CID 71041449
Pyrrolidinyl urea derivative 11
CID 118128775
1-[1-[4-(Trifluoromethyl)phenyl]-3-(4-pyridinyl)-1H-pyrazole-5-yl]-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 44359182
N-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)phenyl)-4-(3-morpholinophenyl)pyrimidin-2-amine
CID 44627583
4-[2-(2,4-difluorophenyl)pyridin-4-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 57749958
1-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one
CID 59507806
1-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[1-methyl-5-(2-pyridin-3-ylethynyl)pyrazol-3-yl]urea
CID 71605225
1-[3-(3-methylanilino)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372875

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
The IUPAC name of 3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide (CID 1482268) is 3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for 3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
The canonical SMILES for 3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)n1cc(-c2ccccn2)c(N2CCOCC2)n1.
What is the InChIKey of 3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
The InChIKey is UUSYTIHURXSSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c21-20(22,23)14-4-3-5-15(12-14)25-19(29)28-13-16(17-6-1-2-7-24-17)18(26-28)27-8-10-30-11-9-27/h1-7,12-13H,8-11H2,(H,25,29).
What are the key properties of 3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide?
3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-4-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 1482268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).