ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide

C20H25N3O2 — CID 166129027

IUPACethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCC.COc1ccc(NC(=O)C2CC2)cc1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C11H13NO2.C7H6N2.C2H6/c1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8;1-2-4-7-6(3-1)5-8-9-7;1-2/h4-8H,2-3H2,1H3,(H,12,13);1-5H,(H,8,9);1-2H3
InChIKeyRYBPIPMXZSLDFG-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.63
Rot. Bonds3

About ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide

ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide (PubChem CID 166129027) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound Nameethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide
PubChem CID166129027
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Nameethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCC.COc1ccc(NC(=O)C2CC2)cc1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C11H13NO2.C7H6N2.C2H6/c1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8;1-2-4-7-6(3-1)5-8-9-7;1-2/h4-8H,2-3H2,1H3,(H,12,13);1-5H,(H,8,9);1-2H3
InChIKeyRYBPIPMXZSLDFG-UHFFFAOYSA-N
XLogP4.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 121318821
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 109150620
4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128442
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664

Frequently Asked Questions

What is the IUPAC name of ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The IUPAC name of ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide (CID 166129027) is ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide.
What is the SMILES notation for ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The canonical SMILES for ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide is CC.COc1ccc(NC(=O)C2CC2)cc1.c1ccc2[nH]ncc2c1.
What is the InChIKey of ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The InChIKey is RYBPIPMXZSLDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.C7H6N2.C2H6/c1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8;1-2-4-7-6(3-1)5-8-9-7;1-2/h4-8H,2-3H2,1H3,(H,12,13);1-5H,(H,8,9);1-2H3.
What are the key properties of ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide?
ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 166129027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).