(2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate

C24H17BrCl3N5O3 — CID 140670315

About (2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate

(2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate (PubChem CID 140670315) has the molecular formula C24H17BrCl3N5O3 and a molecular weight of 609.70 g/mol. Its IUPAC name is (2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate.

Molecular Properties

• Compound Name: (2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate
• PubChem CID: 140670315
• Molecular Formula: C24H17BrCl3N5O3
• Molecular Weight: 609.70 g/mol
• Exact Mass: 606.96
• IUPAC Name: (2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate
• SMILES: Cc1cc(Cl)cc(NC(=O)OCc2ccccc2Cl)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl
• InChI: InChI=1S/C24H17BrCl3N5O3/c1-13-9-15(26)10-18(30-24(35)36-12-14-5-2-3-6-16(14)27)21(13)31-23(34)19-11-20(25)32-33(19)22-17(28)7-4-8-29-22/h2-11H,12H2,1H3,(H,30,35)(H,31,34)
• InChIKey: NITFZJTUDUIFKK-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.70
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate?

The IUPAC name of (2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate (CID 140670315) is (2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate.

What is the SMILES notation for (2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate?

The canonical SMILES for (2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate is Cc1cc(Cl)cc(NC(=O)OCc2ccccc2Cl)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl.

What is the InChIKey of (2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate?

The InChIKey is NITFZJTUDUIFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrCl3N5O3/c1-13-9-15(26)10-18(30-24(35)36-12-14-5-2-3-6-16(14)27)21(13)31-23(34)19-11-20(25)32-33(19)22-17(28)7-4-8-29-22/h2-11H,12H2,1H3,(H,30,35)(H,31,34).

What are the key properties of (2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate?

(2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate has a molecular weight of 609.70 g/mol, XLogP of 7.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chlorophenyl)methyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylphenyl]carbamate is sourced from PubChem (CID 140670315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).