propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate

C18H16Cl2N2O2 — CID 11660548

IUPACpropyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
SMILESCCCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C18H16Cl2N2O2/c1-2-9-24-18(23)17-14-5-3-4-6-16(14)22(21-17)11-12-7-8-13(19)10-15(12)20/h3-8,10H,2,9,11H2,1H3
InChIKeyRDVRTRULXPIFMO-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.96
Rot. Bonds5

About propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate

propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate (PubChem CID 11660548) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate.

Molecular Properties

Compound Namepropyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
PubChem CID11660548
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Namepropyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
SMILESCCCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C18H16Cl2N2O2/c1-2-9-24-18(23)17-14-5-3-4-6-16(14)22(21-17)11-12-7-8-13(19)10-15(12)20/h3-8,10H,2,9,11H2,1H3
InChIKeyRDVRTRULXPIFMO-UHFFFAOYSA-N
XLogP4.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate?
The IUPAC name of propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate (CID 11660548) is propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate.
What is the SMILES notation for propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate?
The canonical SMILES for propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate is CCCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate?
The InChIKey is RDVRTRULXPIFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-2-9-24-18(23)17-14-5-3-4-6-16(14)22(21-17)11-12-7-8-13(19)10-15(12)20/h3-8,10H,2,9,11H2,1H3.
What are the key properties of propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate?
propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate has a molecular weight of 363.24 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate is sourced from PubChem (CID 11660548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).