N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide

C18H19N3O2 — CID 111122221

IUPACN-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide
SMILESO=C(c1n[nH]c2ccccc12)N(CCO)CCc1ccccc1
InChIInChI=1S/C18H19N3O2/c22-13-12-21(11-10-14-6-2-1-3-7-14)18(23)17-15-8-4-5-9-16(15)19-20-17/h1-9,22H,10-13H2,(H,19,20)
InChIKeyQNKGASSQGXYDKI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.24
Rot. Bonds6

About N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide

N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide (PubChem CID 111122221) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide
PubChem CID111122221
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide
SMILESO=C(c1n[nH]c2ccccc12)N(CCO)CCc1ccccc1
InChIInChI=1S/C18H19N3O2/c22-13-12-21(11-10-14-6-2-1-3-7-14)18(23)17-15-8-4-5-9-16(15)19-20-17/h1-9,22H,10-13H2,(H,19,20)
InChIKeyQNKGASSQGXYDKI-UHFFFAOYSA-N
XLogP2.24
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide
CID 31236371
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 106612562
N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136703892
N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide
CID 52768641
N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
CID 41277760
N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide
CID 60608504
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 26826397
N-(2-hydroxyethyl)-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 111122163
N-(2-hydroxyethyl)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 111122126
N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide
CID 86943516

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide (CID 111122221) is N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide is O=C(c1n[nH]c2ccccc12)N(CCO)CCc1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide?
The InChIKey is QNKGASSQGXYDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-13-12-21(11-10-14-6-2-1-3-7-14)18(23)17-15-8-4-5-9-16(15)19-20-17/h1-9,22H,10-13H2,(H,19,20).
What are the key properties of N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide?
N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 111122221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).