5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide

C16H16ClN3O — CID 146646255

About 5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide

5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide (PubChem CID 146646255) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide
• PubChem CID: 146646255
• Molecular Formula: C16H16ClN3O
• Molecular Weight: 301.78 g/mol
• Exact Mass: 301.10
• IUPAC Name: 5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide
• SMILES: Cn1ncc(C(=O)N[C@]23CCC(C2)c2ccccc23)c1Cl
• InChI: InChI=1S/C16H16ClN3O/c1-20-14(17)12(9-18-20)15(21)19-16-7-6-10(8-16)11-4-2-3-5-13(11)16/h2-5,9-10H,6-8H2,1H3,(H,19,21)/t10?,16-/m1/s1
• InChIKey: OFKFPAVFSZZXPU-YRQZNCJOSA-N
• XLogP: 2.98
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.78
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide?

The IUPAC name of 5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide (CID 146646255) is 5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide is Cn1ncc(C(=O)N[C@]23CCC(C2)c2ccccc23)c1Cl.

What is the InChIKey of 5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide?

The InChIKey is OFKFPAVFSZZXPU-YRQZNCJOSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-20-14(17)12(9-18-20)15(21)19-16-7-6-10(8-16)11-4-2-3-5-13(11)16/h2-5,9-10H,6-8H2,1H3,(H,19,21)/t10?,16-/m1/s1.

What are the key properties of 5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide?

5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide has a molecular weight of 301.78 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-methyl-N-[(1R)-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146646255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).