N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide

C22H18ClN3O2 — CID 127047025

IUPACN-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide
SMILESO=C(NC(CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccccc3)c2c1
InChIInChI=1S/C22H18ClN3O2/c23-17-8-4-7-15(11-17)20(13-27)24-22(28)16-9-10-19-18(12-16)21(26-25-19)14-5-2-1-3-6-14/h1-12,20,27H,13H2,(H,24,28)(H,25,26)
InChIKeyUMBKGUHAJYQXKR-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.35
Rot. Bonds5

About N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide

N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide (PubChem CID 127047025) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide
PubChem CID127047025
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC NameN-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide
SMILESO=C(NC(CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccccc3)c2c1
InChIInChI=1S/C22H18ClN3O2/c23-17-8-4-7-15(11-17)20(13-27)24-22(28)16-9-10-19-18(12-16)21(26-25-19)14-5-2-1-3-6-14/h1-12,20,27H,13H2,(H,24,28)(H,25,26)
InChIKeyUMBKGUHAJYQXKR-UHFFFAOYSA-N
XLogP4.35
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide (CID 127047025) is N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide is O=C(NC(CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccccc3)c2c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide?
The InChIKey is UMBKGUHAJYQXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-17-8-4-7-15(11-17)20(13-27)24-22(28)16-9-10-19-18(12-16)21(26-25-19)14-5-2-1-3-6-14/h1-12,20,27H,13H2,(H,24,28)(H,25,26).
What are the key properties of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide?
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).