5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide

C23H18ClF3N4O2 — CID 18987639

IUPAC5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1cccc(C2CN(C(=O)Nc3ccc(C(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H18ClF3N4O2/c1-33-20-4-2-3-19(29-20)18-13-31(30-21(18)14-5-9-16(24)10-6-14)22(32)28-17-11-7-15(8-12-17)23(25,26)27/h2-12,18H,13H2,1H3,(H,28,32)
InChIKeyKGIZOYGEDODAOF-UHFFFAOYSA-N
MW474.87 g/mol
LogP5.80
Rot. Bonds4

About 5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 18987639) has the molecular formula C23H18ClF3N4O2 and a molecular weight of 474.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID18987639
Molecular FormulaC23H18ClF3N4O2
Molecular Weight474.87 g/mol
Exact Mass474.11
IUPAC Name5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1cccc(C2CN(C(=O)Nc3ccc(C(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H18ClF3N4O2/c1-33-20-4-2-3-19(29-20)18-13-31(30-21(18)14-5-9-16(24)10-6-14)22(32)28-17-11-7-15(8-12-17)23(25,26)27/h2-12,18H,13H2,1H3,(H,28,32)
InChIKeyKGIZOYGEDODAOF-UHFFFAOYSA-N
XLogP5.80
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.87
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide (CID 18987639) is 5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide is COc1cccc(C2CN(C(=O)Nc3ccc(C(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is KGIZOYGEDODAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N4O2/c1-33-20-4-2-3-19(29-20)18-13-31(30-21(18)14-5-9-16(24)10-6-14)22(32)28-17-11-7-15(8-12-17)23(25,26)27/h2-12,18H,13H2,1H3,(H,28,32).
What are the key properties of 5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 474.87 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(6-methoxy-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 18987639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).