(4-chlorophenyl)methyl 1H-indazole-3-carboxylate

C15H11ClN2O2 — CID 2534607

IUPAC(4-chlorophenyl)methyl 1H-indazole-3-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C15H11ClN2O2/c16-11-7-5-10(6-8-11)9-20-15(19)14-12-3-1-2-4-13(12)17-18-14/h1-8H,9H2,(H,17,18)
InChIKeyADMGOZDLTVKYNK-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.57
Rot. Bonds3

About (4-chlorophenyl)methyl 1H-indazole-3-carboxylate

(4-chlorophenyl)methyl 1H-indazole-3-carboxylate (PubChem CID 2534607) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 1H-indazole-3-carboxylate
PubChem CID2534607
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name(4-chlorophenyl)methyl 1H-indazole-3-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C15H11ClN2O2/c16-11-7-5-10(6-8-11)9-20-15(19)14-12-3-1-2-4-13(12)17-18-14/h1-8H,9H2,(H,17,18)
InChIKeyADMGOZDLTVKYNK-UHFFFAOYSA-N
XLogP3.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 1H-indazole-3-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 1H-indazole-3-carboxylate (CID 2534607) is (4-chlorophenyl)methyl 1H-indazole-3-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 1H-indazole-3-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 1H-indazole-3-carboxylate is O=C(OCc1ccc(Cl)cc1)c1n[nH]c2ccccc12.
What is the InChIKey of (4-chlorophenyl)methyl 1H-indazole-3-carboxylate?
The InChIKey is ADMGOZDLTVKYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-11-7-5-10(6-8-11)9-20-15(19)14-12-3-1-2-4-13(12)17-18-14/h1-8H,9H2,(H,17,18).
What are the key properties of (4-chlorophenyl)methyl 1H-indazole-3-carboxylate?
(4-chlorophenyl)methyl 1H-indazole-3-carboxylate has a molecular weight of 286.72 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 2534607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).