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

C19H17F3N6O2 — CID 73442449

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

N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide (PubChem CID 73442449) 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-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide
• PubChem CID: 73442449
• Molecular Formula: C19H17F3N6O2
• Molecular Weight: 418.38 g/mol
• Exact Mass: 418.14
• IUPAC Name: N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide
• SMILES: O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ncc(C(F)(F)F)cn2)c1
• InChI: InChI=1S/C19H17F3N6O2/c20-19(21,22)14-8-24-18(25-9-14)28-11-13(7-26-28)17(29)27-15-3-1-12(2-4-15)16-10-23-5-6-30-16/h1-4,7-9,11,16,23H,5-6,10H2,(H,27,29)/t16-/m1/s1
• InChIKey: MTICVEUNWCKSPP-MRXNPFEDSA-N
• XLogP: 2.59
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.38
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide?

The IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide (CID 73442449) is N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide?

The canonical SMILES for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ncc(C(F)(F)F)cn2)c1.

What is the InChIKey of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide?

The InChIKey is MTICVEUNWCKSPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c20-19(21,22)14-8-24-18(25-9-14)28-11-13(7-26-28)17(29)27-15-3-1-12(2-4-15)16-10-23-5-6-30-16/h1-4,7-9,11,16,23H,5-6,10H2,(H,27,29)/t16-/m1/s1.

What are the key properties of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide?

N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-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-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 73442449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).