N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide

C16H14ClN3O — CID 4884098

IUPACN-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H14ClN3O/c17-12-7-5-11(6-8-12)9-10-18-16(21)15-13-3-1-2-4-14(13)19-20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyLJGKSOUQOFWWST-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.19
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide (PubChem CID 4884098) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
PubChem CID4884098
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H14ClN3O/c17-12-7-5-11(6-8-12)9-10-18-16(21)15-13-3-1-2-4-14(13)19-20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyLJGKSOUQOFWWST-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide (CID 4884098) is N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is LJGKSOUQOFWWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-12-7-5-11(6-8-12)9-10-18-16(21)15-13-3-1-2-4-14(13)19-20-15/h1-8H,9-10H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 4884098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).