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

C17H16ClN3O2 — CID 22319607

IUPACN-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(O)cc3)cc12
InChIInChI=1S/C17H16ClN3O2/c1-2-3-16(23)19-17-13-8-12(10-4-6-11(22)7-5-10)14(18)9-15(13)20-21-17/h4-9,22H,2-3H2,1H3,(H2,19,20,21,23)
InChIKeyRVXSPZSIMZZCQR-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.33
Rot. Bonds4

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

N-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 22319607) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
PubChem CID22319607
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(O)cc3)cc12
InChIInChI=1S/C17H16ClN3O2/c1-2-3-16(23)19-17-13-8-12(10-4-6-11(22)7-5-10)14(18)9-15(13)20-21-17/h4-9,22H,2-3H2,1H3,(H2,19,20,21,23)
InChIKeyRVXSPZSIMZZCQR-UHFFFAOYSA-N
XLogP4.33
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide 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-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide (CID 22319607) is N-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(O)cc3)cc12.
What is the InChIKey of N-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is RVXSPZSIMZZCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-2-3-16(23)19-17-13-8-12(10-4-6-11(22)7-5-10)14(18)9-15(13)20-21-17/h4-9,22H,2-3H2,1H3,(H2,19,20,21,23).
What are the key properties of N-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
N-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 329.79 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).