N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C16H21N3O3 — CID 75390426

IUPACN-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCOCC(NC(=O)C1CCc2[nH]ncc2C1)c1ccc(C)o1
InChIInChI=1S/C16H21N3O3/c1-10-3-6-15(22-10)14(9-21-2)18-16(20)11-4-5-13-12(7-11)8-17-19-13/h3,6,8,11,14H,4-5,7,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUNYQKPSSLMYLNI-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.92
Rot. Bonds5

About N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 75390426) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID75390426
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCOCC(NC(=O)C1CCc2[nH]ncc2C1)c1ccc(C)o1
InChIInChI=1S/C16H21N3O3/c1-10-3-6-15(22-10)14(9-21-2)18-16(20)11-4-5-13-12(7-11)8-17-19-13/h3,6,8,11,14H,4-5,7,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUNYQKPSSLMYLNI-UHFFFAOYSA-N
XLogP1.92
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 75390426) is N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is COCC(NC(=O)C1CCc2[nH]ncc2C1)c1ccc(C)o1.
What is the InChIKey of N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is UNYQKPSSLMYLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-3-6-15(22-10)14(9-21-2)18-16(20)11-4-5-13-12(7-11)8-17-19-13/h3,6,8,11,14H,4-5,7,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 75390426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).