N-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide

C19H21N3O — CID 10040883

IUPACN-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(CC)cc3)ccc12
InChIInChI=1S/C19H21N3O/c1-3-5-18(23)20-19-16-11-10-15(12-17(16)21-22-19)14-8-6-13(4-2)7-9-14/h6-12H,3-5H2,1-2H3,(H2,20,21,22,23)
InChIKeyQRQNNGSYNOKPBH-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.53
Rot. Bonds5

About N-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide

N-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 10040883) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide
PubChem CID10040883
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(CC)cc3)ccc12
InChIInChI=1S/C19H21N3O/c1-3-5-18(23)20-19-16-11-10-15(12-17(16)21-22-19)14-8-6-13(4-2)7-9-14/h6-12H,3-5H2,1-2H3,(H2,20,21,22,23)
InChIKeyQRQNNGSYNOKPBH-UHFFFAOYSA-N
XLogP4.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide (CID 10040883) is N-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(CC)cc3)ccc12.
What is the InChIKey of N-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is QRQNNGSYNOKPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-5-18(23)20-19-16-11-10-15(12-17(16)21-22-19)14-8-6-13(4-2)7-9-14/h6-12H,3-5H2,1-2H3,(H2,20,21,22,23).
What are the key properties of N-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide?
N-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 307.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethylphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 10040883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).