5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide

C44H34Cl2F6N18O4 — CID 162098664

About 5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 162098664) has the molecular formula C44H34Cl2F6N18O4 and a molecular weight of 1063.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
• PubChem CID: 162098664
• Molecular Formula: C44H34Cl2F6N18O4
• Molecular Weight: 1063.77 g/mol
• Exact Mass: 1062.23
• IUPAC Name: 5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
• SMILES: Cn1nnc(-c2cnn(C3CN(C(=O)Nc4ccc(OC(F)(F)F)cc4)N=C3c3ccc(Cl)cc3)c2)n1.Cn1nnnc1-c1cnn(C2CN(C(=O)Nc3ccc(OC(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)c1
• InChI: InChI=1S/2C22H17ClF3N9O2/c1-33-20(29-31-32-33)14-10-27-34(11-14)18-12-35(30-19(18)13-2-4-15(23)5-3-13)21(36)28-16-6-8-17(9-7-16)37-22(24,25)26;1-33-31-20(29-32-33)14-10-27-34(11-14)18-12-35(30-19(18)13-2-4-15(23)5-3-13)21(36)28-16-6-8-17(9-7-16)37-22(24,25)26/h2*2-11,18H,12H2,1H3,(H,28,36)
• InChIKey: ZEOWEUVFOIFZLA-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 230.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1063.77
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide (CID 162098664) is 5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide is Cn1nnc(-c2cnn(C3CN(C(=O)Nc4ccc(OC(F)(F)F)cc4)N=C3c3ccc(Cl)cc3)c2)n1.Cn1nnnc1-c1cnn(C2CN(C(=O)Nc3ccc(OC(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)c1.

What is the InChIKey of 5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?

The InChIKey is ZEOWEUVFOIFZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17ClF3N9O2/c1-33-20(29-31-32-33)14-10-27-34(11-14)18-12-35(30-19(18)13-2-4-15(23)5-3-13)21(36)28-16-6-8-17(9-7-16)37-22(24,25)26;1-33-31-20(29-32-33)14-10-27-34(11-14)18-12-35(30-19(18)13-2-4-15(23)5-3-13)21(36)28-16-6-8-17(9-7-16)37-22(24,25)26/h2*2-11,18H,12H2,1H3,(H,28,36).

What are the key properties of 5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?

5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 1063.77 g/mol, XLogP of 8.24, 10 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-4-[4-(1-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide;5-(4-chlorophenyl)-4-[4-(2-methyltetrazol-5-yl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 162098664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).