N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide

C19H17F3N6O2 — CID 90047286

IUPACN-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2cnc(C(F)(F)F)nc2)c1
InChIInChI=1S/C19H17F3N6O2/c20-19(21,22)18-24-8-15(9-25-18)28-11-13(7-26-28)17(29)27-14-3-1-12(2-4-14)16-10-23-5-6-30-16/h1-4,7-9,11,16,23H,5-6,10H2,(H,27,29)
InChIKeyPRFJSJRUTFJAJQ-UHFFFAOYSA-N
MW418.38 g/mol
LogP2.59
Rot. Bonds4

About N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide

N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide (PubChem CID 90047286) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide
PubChem CID90047286
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC NameN-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2cnc(C(F)(F)F)nc2)c1
InChIInChI=1S/C19H17F3N6O2/c20-19(21,22)18-24-8-15(9-25-18)28-11-13(7-26-28)17(29)27-14-3-1-12(2-4-14)16-10-23-5-6-30-16/h1-4,7-9,11,16,23H,5-6,10H2,(H,27,29)
InChIKeyPRFJSJRUTFJAJQ-UHFFFAOYSA-N
XLogP2.59
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-morpholin-2-ylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 90047385
N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride
CID 90047467
1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
CID 90047409
1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 158653280
1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 90047494
1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;hydrochloride
CID 90047492
1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 90047611
1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
CID 90047328
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 56836053
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride
CID 71087819
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 71087452
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 71087444

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide (CID 90047286) is N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2cnc(C(F)(F)F)nc2)c1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide?
The InChIKey is PRFJSJRUTFJAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c20-19(21,22)18-24-8-15(9-25-18)28-11-13(7-26-28)17(29)27-14-3-1-12(2-4-14)16-10-23-5-6-30-16/h1-4,7-9,11,16,23H,5-6,10H2,(H,27,29).
What are the key properties of N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide?
N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 90047286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).