N-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide

C19H20ClN3O — CID 22319598

IUPACN-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(CC)cc3)cc12
InChIInChI=1S/C19H20ClN3O/c1-3-5-18(24)21-19-15-10-14(16(20)11-17(15)22-23-19)13-8-6-12(4-2)7-9-13/h6-11H,3-5H2,1-2H3,(H2,21,22,23,24)
InChIKeyLDOOWNQBEVKCGT-UHFFFAOYSA-N
MW341.84 g/mol
LogP5.18
Rot. Bonds5

About N-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide

N-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 22319598) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide
PubChem CID22319598
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(CC)cc3)cc12
InChIInChI=1S/C19H20ClN3O/c1-3-5-18(24)21-19-15-10-14(16(20)11-17(15)22-23-19)13-8-6-12(4-2)7-9-13/h6-11H,3-5H2,1-2H3,(H2,21,22,23,24)
InChIKeyLDOOWNQBEVKCGT-UHFFFAOYSA-N
XLogP5.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.84
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide (CID 22319598) is N-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(CC)cc3)cc12.
What is the InChIKey of N-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is LDOOWNQBEVKCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-3-5-18(24)21-19-15-10-14(16(20)11-17(15)22-23-19)13-8-6-12(4-2)7-9-13/h6-11H,3-5H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide?
N-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 341.84 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(4-ethylphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).