3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide

C19H21N3O2 — CID 123173183

IUPAC3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide
SMILESCCc1[nH]nc2ccc(C(=O)NC(COC)c3ccccc3)cc12
InChIInChI=1S/C19H21N3O2/c1-3-16-15-11-14(9-10-17(15)22-21-16)19(23)20-18(12-24-2)13-7-5-4-6-8-13/h4-11,18H,3,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYXCWUWKVFUGTTJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.24
Rot. Bonds6

About 3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide

3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide (PubChem CID 123173183) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide
PubChem CID123173183
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide
SMILESCCc1[nH]nc2ccc(C(=O)NC(COC)c3ccccc3)cc12
InChIInChI=1S/C19H21N3O2/c1-3-16-15-11-14(9-10-17(15)22-21-16)19(23)20-18(12-24-2)13-7-5-4-6-8-13/h4-11,18H,3,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYXCWUWKVFUGTTJ-UHFFFAOYSA-N
XLogP3.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide (CID 123173183) is 3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide is CCc1[nH]nc2ccc(C(=O)NC(COC)c3ccccc3)cc12.
What is the InChIKey of 3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide?
The InChIKey is YXCWUWKVFUGTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-16-15-11-14(9-10-17(15)22-21-16)19(23)20-18(12-24-2)13-7-5-4-6-8-13/h4-11,18H,3,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide?
3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 123173183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).