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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).