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

C38H37F3N12O4 — CID 157149305

IUPAC1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide
SMILESCc1ccnc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ncc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H17F3N6O2.C19H20N6O2/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;1-13-6-7-21-19(23-13)25-12-15(10-22-25)18(26)24-16-4-2-14(3-5-16)17-11-20-8-9-27-17/h1-4,7-9,11,16,23H,5-6,10H2,(H,27,29);2-7,10,12,17,20H,8-9,11H2,1H3,(H,24,26)/t16-;17-/m11/s1
InChIKeyALBNBJHIMVGEFG-UEDZBYTHSA-N
MW782.79 g/mol
LogP4.48
Rot. Bonds8

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

1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide (PubChem CID 157149305) has the molecular formula C38H37F3N12O4 and a molecular weight of 782.79 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide
PubChem CID157149305
Molecular FormulaC38H37F3N12O4
Molecular Weight782.79 g/mol
Exact Mass782.30
IUPAC Name1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide
SMILESCc1ccnc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ncc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H17F3N6O2.C19H20N6O2/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;1-13-6-7-21-19(23-13)25-12-15(10-22-25)18(26)24-16-4-2-14(3-5-16)17-11-20-8-9-27-17/h1-4,7-9,11,16,23H,5-6,10H2,(H,27,29);2-7,10,12,17,20H,8-9,11H2,1H3,(H,24,26)/t16-;17-/m11/s1
InChIKeyALBNBJHIMVGEFG-UEDZBYTHSA-N
XLogP4.48
TPSA187.92 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.79
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 71086718
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086728
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 71086845
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086875
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086896
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 71087564
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide
CID 71087735
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 71087896
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 73442329
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 73442330
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 73442447
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 73442449

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide (CID 157149305) is 1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide is Cc1ccnc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ncc(C(F)(F)F)cn2)c1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide?
The InChIKey is ALBNBJHIMVGEFG-UEDZBYTHSA-N. The full InChI is InChI=1S/C19H17F3N6O2.C19H20N6O2/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;1-13-6-7-21-19(23-13)25-12-15(10-22-25)18(26)24-16-4-2-14(3-5-16)17-11-20-8-9-27-17/h1-4,7-9,11,16,23H,5-6,10H2,(H,27,29);2-7,10,12,17,20H,8-9,11H2,1H3,(H,24,26)/t16-;17-/m11/s1.
What are the key properties of 1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide?
1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide has a molecular weight of 782.79 g/mol, XLogP of 4.48, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 157149305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).