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

C18H15ClF3N3O2 — CID 18980986

IUPAC5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCOC1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClF3N3O2/c1-27-15-10-25(24-16(15)11-2-6-13(19)7-3-11)17(26)23-14-8-4-12(5-9-14)18(20,21)22/h2-9,15H,10H2,1H3,(H,23,26)
InChIKeyGPAGYJDTPINVPT-UHFFFAOYSA-N
MW397.78 g/mol
LogP4.63
Rot. Bonds3

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

5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 18980986) has the molecular formula C18H15ClF3N3O2 and a molecular weight of 397.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID18980986
Molecular FormulaC18H15ClF3N3O2
Molecular Weight397.78 g/mol
Exact Mass397.08
IUPAC Name5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCOC1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClF3N3O2/c1-27-15-10-25(24-16(15)11-2-6-13(19)7-3-11)17(26)23-14-8-4-12(5-9-14)18(20,21)22/h2-9,15H,10H2,1H3,(H,23,26)
InChIKeyGPAGYJDTPINVPT-UHFFFAOYSA-N
XLogP4.63
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide (CID 18980986) is 5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide is COC1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is GPAGYJDTPINVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2/c1-27-15-10-25(24-16(15)11-2-6-13(19)7-3-11)17(26)23-14-8-4-12(5-9-14)18(20,21)22/h2-9,15H,10H2,1H3,(H,23,26).
What are the key properties of 5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 397.78 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methoxy-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 18980986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).