3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide

C20H23N3O2 — CID 123846554

IUPAC3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide
SMILESCCc1[nH]nc2ccc(C(=O)NC(CC)c3cccc(OC)c3)cc12
InChIInChI=1S/C20H23N3O2/c1-4-17(13-7-6-8-15(11-13)25-3)21-20(24)14-9-10-19-16(12-14)18(5-2)22-23-19/h6-12,17H,4-5H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyXGIDMUQKZWKWCL-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.01
Rot. Bonds6

About 3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide

3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide (PubChem CID 123846554) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide
PubChem CID123846554
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide
SMILESCCc1[nH]nc2ccc(C(=O)NC(CC)c3cccc(OC)c3)cc12
InChIInChI=1S/C20H23N3O2/c1-4-17(13-7-6-8-15(11-13)25-3)21-20(24)14-9-10-19-16(12-14)18(5-2)22-23-19/h6-12,17H,4-5H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyXGIDMUQKZWKWCL-UHFFFAOYSA-N
XLogP4.01
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide
CID 123173183
N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide
CID 146209142
N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 86711054
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594
3-ethyl-N-(methoxymethyl)-2H-indazole-6-carboxamide
CID 68707947
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
N-[1-(3-methoxyphenyl)-2-(methylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
CID 146209021
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide (CID 123846554) is 3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide is CCc1[nH]nc2ccc(C(=O)NC(CC)c3cccc(OC)c3)cc12.
What is the InChIKey of 3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide?
The InChIKey is XGIDMUQKZWKWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-17(13-7-6-8-15(11-13)25-3)21-20(24)14-9-10-19-16(12-14)18(5-2)22-23-19/h6-12,17H,4-5H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide?
3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 123846554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).