5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide

C23H15ClF3N5O2 — CID 18987683

IUPAC5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESN#Cc1ccc(C2CN(C(=O)Nc3ccc(OC(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)nc1
InChIInChI=1S/C23H15ClF3N5O2/c24-16-4-2-15(3-5-16)21-19(20-10-1-14(11-28)12-29-20)13-32(31-21)22(33)30-17-6-8-18(9-7-17)34-23(25,26)27/h1-10,12,19H,13H2,(H,30,33)
InChIKeyWIKDRBRBBDVQJE-UHFFFAOYSA-N
MW485.85 g/mol
LogP5.54
Rot. Bonds4

About 5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 18987683) has the molecular formula C23H15ClF3N5O2 and a molecular weight of 485.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID18987683
Molecular FormulaC23H15ClF3N5O2
Molecular Weight485.85 g/mol
Exact Mass485.09
IUPAC Name5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESN#Cc1ccc(C2CN(C(=O)Nc3ccc(OC(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)nc1
InChIInChI=1S/C23H15ClF3N5O2/c24-16-4-2-15(3-5-16)21-19(20-10-1-14(11-28)12-29-20)13-32(31-21)22(33)30-17-6-8-18(9-7-17)34-23(25,26)27/h1-10,12,19H,13H2,(H,30,33)
InChIKeyWIKDRBRBBDVQJE-UHFFFAOYSA-N
XLogP5.54
TPSA90.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.85
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide (CID 18987683) is 5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide is N#Cc1ccc(C2CN(C(=O)Nc3ccc(OC(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)nc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is WIKDRBRBBDVQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N5O2/c24-16-4-2-15(3-5-16)21-19(20-10-1-14(11-28)12-29-20)13-32(31-21)22(33)30-17-6-8-18(9-7-17)34-23(25,26)27/h1-10,12,19H,13H2,(H,30,33).
What are the key properties of 5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 485.85 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 18987683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).