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

C17H16BrN3O2 — CID 135546072

IUPACN-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(Br)cc12
InChIInChI=1S/C17H16BrN3O2/c1-2-3-16(23)19-17-13-8-14(18)12(9-15(13)20-21-17)10-4-6-11(22)7-5-10/h4-9,22H,2-3H2,1H3,(H2,19,20,21,23)
InChIKeyRDPYDEGIIXRWPN-UHFFFAOYSA-N
MW374.24 g/mol
LogP4.44
Rot. Bonds4

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

N-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 135546072) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is N-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
PubChem CID135546072
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC NameN-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(Br)cc12
InChIInChI=1S/C17H16BrN3O2/c1-2-3-16(23)19-17-13-8-14(18)12(9-15(13)20-21-17)10-4-6-11(22)7-5-10/h4-9,22H,2-3H2,1H3,(H2,19,20,21,23)
InChIKeyRDPYDEGIIXRWPN-UHFFFAOYSA-N
XLogP4.44
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-(3-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 22319573
N-[6-(4-Hydroxyphenyl)-1h-Indazol-3-Yl]butanamide
CID 135458003
N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide
CID 135566516
N-(6-(4-hydroxyphenyl)-1H-indazol-3-yl)cyclopropanecarboxamide
CID 135435018
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
CID 137652911
N-(6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135433925
N-(6-(3,4-dihydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135848025
N-(5-(4-ethylphenyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135848031
N-(5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135848037
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 137648978
N-[6-(3-hydroxyphenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 137655689
N-(6-(4-(trifluoromethoxy)phenyl)-1H-indazol-3-yl)butyramide
CID 22319555

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide (CID 135546072) is N-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(Br)cc12.
What is the InChIKey of N-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is RDPYDEGIIXRWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-2-3-16(23)19-17-13-8-14(18)12(9-15(13)20-21-17)10-4-6-11(22)7-5-10/h4-9,22H,2-3H2,1H3,(H2,19,20,21,23).
What are the key properties of N-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
N-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 374.24 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 135546072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).