2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole

C15H17ClN2O — CID 21219462

IUPAC2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole
SMILESCOc1cc(-n2nc3c(c2C)CCCC3)ccc1Cl
InChIInChI=1S/C15H17ClN2O/c1-10-12-5-3-4-6-14(12)17-18(10)11-7-8-13(16)15(9-11)19-2/h7-9H,3-6H2,1-2H3
InChIKeyHPZPFBWJPINYPQ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.72
Rot. Bonds2

About 2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole

2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole (PubChem CID 21219462) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole
PubChem CID21219462
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole
SMILESCOc1cc(-n2nc3c(c2C)CCCC3)ccc1Cl
InChIInChI=1S/C15H17ClN2O/c1-10-12-5-3-4-6-14(12)17-18(10)11-7-8-13(16)15(9-11)19-2/h7-9H,3-6H2,1-2H3
InChIKeyHPZPFBWJPINYPQ-UHFFFAOYSA-N
XLogP3.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole (CID 21219462) is 2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole is COc1cc(-n2nc3c(c2C)CCCC3)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole?
The InChIKey is HPZPFBWJPINYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-12-5-3-4-6-14(12)17-18(10)11-7-8-13(16)15(9-11)19-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole?
2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole has a molecular weight of 276.77 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 21219462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).