N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide

C19H17F3N6O2 — CID 71087896

IUPACN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cc(C(F)(F)F)ncn2)n1
InChIInChI=1S/C19H17F3N6O2/c20-19(21,22)16-9-17(25-11-24-16)28-7-5-14(27-28)18(29)26-13-3-1-12(2-4-13)15-10-23-6-8-30-15/h1-5,7,9,11,15,23H,6,8,10H2,(H,26,29)/t15-/m1/s1
InChIKeyBISNTGVXBFUUJV-OAHLLOKOSA-N
MW418.38 g/mol
LogP2.59
Rot. Bonds4

About N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide

N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide (PubChem CID 71087896) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
PubChem CID71087896
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC NameN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cc(C(F)(F)F)ncn2)n1
InChIInChI=1S/C19H17F3N6O2/c20-19(21,22)16-9-17(25-11-24-16)28-7-5-14(27-28)18(29)26-13-3-1-12(2-4-13)15-10-23-6-8-30-15/h1-5,7,9,11,15,23H,6,8,10H2,(H,26,29)/t15-/m1/s1
InChIKeyBISNTGVXBFUUJV-OAHLLOKOSA-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-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271856
N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162658059
N-[4-[(2R)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087441
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087663
N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71112658
US9873709, Example 2-154
CID 117950847
6-(methoxymethyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415220
5-(4-methoxyphenyl)-N-3-pyridinyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1207958
5-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1100807
5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1111000
N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548306
N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide
CID 67239104

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide (CID 71087896) is N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cc(C(F)(F)F)ncn2)n1.
What is the InChIKey of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is BISNTGVXBFUUJV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c20-19(21,22)16-9-17(25-11-24-16)28-7-5-14(27-28)18(29)26-13-3-1-12(2-4-13)15-10-23-6-8-30-15/h1-5,7,9,11,15,23H,6,8,10H2,(H,26,29)/t15-/m1/s1.
What are the key properties of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide?
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-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-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 71087896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).