(4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide

C24H25F3N4O3 — CID 156783160

IUPAC(4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(C2=NN(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)C[C@H]2N2CCOCC2=O)cc1
InChIInChI=1S/C24H25F3N4O3/c1-15-3-5-18(6-4-15)22-20(30-11-12-34-14-21(30)32)13-31(29-22)23(33)28-16(2)17-7-9-19(10-8-17)24(25,26)27/h3-10,16,20H,11-14H2,1-2H3,(H,28,33)/t16-,20-/m1/s1
InChIKeyDZNNMZUCQZHALB-OXQOHEQNSA-N
MW474.48 g/mol
LogP3.73
Rot. Bonds4

About (4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide

(4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 156783160) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is (4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name(4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID156783160
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name(4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(C2=NN(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)C[C@H]2N2CCOCC2=O)cc1
InChIInChI=1S/C24H25F3N4O3/c1-15-3-5-18(6-4-15)22-20(30-11-12-34-14-21(30)32)13-31(29-22)23(33)28-16(2)17-7-9-19(10-8-17)24(25,26)27/h3-10,16,20H,11-14H2,1-2H3,(H,28,33)/t16-,20-/m1/s1
InChIKeyDZNNMZUCQZHALB-OXQOHEQNSA-N
XLogP3.73
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of (4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide (CID 156783160) is (4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for (4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for (4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide is Cc1ccc(C2=NN(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)C[C@H]2N2CCOCC2=O)cc1.
What is the InChIKey of (4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is DZNNMZUCQZHALB-OXQOHEQNSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-15-3-5-18(6-4-15)22-20(30-11-12-34-14-21(30)32)13-31(29-22)23(33)28-16(2)17-7-9-19(10-8-17)24(25,26)27/h3-10,16,20H,11-14H2,1-2H3,(H,28,33)/t16-,20-/m1/s1.
What are the key properties of (4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide?
(4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 156783160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).