N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide

C17H17N3O3 — CID 110899639

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1CO
InChIInChI=1S/C17H17N3O3/c1-2-23-15-8-7-12(9-11(15)10-21)18-17(22)16-13-5-3-4-6-14(13)19-20-16/h3-9,21H,2,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyJFGIDBPKCIPSPI-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.71
Rot. Bonds5

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 110899639) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID110899639
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1CO
InChIInChI=1S/C17H17N3O3/c1-2-23-15-8-7-12(9-11(15)10-21)18-17(22)16-13-5-3-4-6-14(13)19-20-16/h3-9,21H,2,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyJFGIDBPKCIPSPI-UHFFFAOYSA-N
XLogP2.71
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-1H-indazole-3-carboxamide
CID 16866355
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide
CID 110899628
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 9069923
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
CID 61014959
2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid
CID 170858284
N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 154796255
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75435747
N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 52790833

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide (CID 110899639) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide is CCOc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is JFGIDBPKCIPSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-23-15-8-7-12(9-11(15)10-21)18-17(22)16-13-5-3-4-6-14(13)19-20-16/h3-9,21H,2,10H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 110899639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).