N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C32H24Cl2F3N5O3 — CID 59022630

About N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 59022630) has the molecular formula C32H24Cl2F3N5O3 and a molecular weight of 654.48 g/mol. Its IUPAC name is N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
• PubChem CID: 59022630
• Molecular Formula: C32H24Cl2F3N5O3
• Molecular Weight: 654.48 g/mol
• Exact Mass: 653.12
• IUPAC Name: N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
• SMILES: COc1ccc2c(c1)CCCC2NC(=O)c1cc2ccccc2c(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
• InChI: InChI=1S/C32H24Cl2F3N5O3/c1-45-19-11-12-20-17(14-19)7-4-10-24(20)39-30(43)22-15-18-6-2-3-8-21(18)27(34)28(22)40-31(44)25-16-26(32(35,36)37)41-42(25)29-23(33)9-5-13-38-29/h2-3,5-6,8-9,11-16,24H,4,7,10H2,1H3,(H,39,43)(H,40,44)
• InChIKey: IFMLWQWDQAINTB-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.48
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

The IUPAC name of N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 59022630) is N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

What is the SMILES notation for N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

The canonical SMILES for N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is COc1ccc2c(c1)CCCC2NC(=O)c1cc2ccccc2c(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.

What is the InChIKey of N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

The InChIKey is IFMLWQWDQAINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24Cl2F3N5O3/c1-45-19-11-12-20-17(14-19)7-4-10-24(20)39-30(43)22-15-18-6-2-3-8-21(18)27(34)28(22)40-31(44)25-16-26(32(35,36)37)41-42(25)29-23(33)9-5-13-38-29/h2-3,5-6,8-9,11-16,24H,4,7,10H2,1H3,(H,39,43)(H,40,44).

What are the key properties of N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 654.48 g/mol, XLogP of 7.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 59022630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).