N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide

C16H15N3O3 — CID 175394496

IUPACN-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide
SMILESCOc1cc(OC)cc(-c2ccc3c(NC=O)n[nH]c3c2)c1
InChIInChI=1S/C16H15N3O3/c1-21-12-5-11(6-13(8-12)22-2)10-3-4-14-15(7-10)18-19-16(14)17-9-20/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyUHAJHKQRKVJQQQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.82
Rot. Bonds5

About N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide

N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide (PubChem CID 175394496) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide
PubChem CID175394496
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide
SMILESCOc1cc(OC)cc(-c2ccc3c(NC=O)n[nH]c3c2)c1
InChIInChI=1S/C16H15N3O3/c1-21-12-5-11(6-13(8-12)22-2)10-3-4-14-15(7-10)18-19-16(14)17-9-20/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyUHAJHKQRKVJQQQ-UHFFFAOYSA-N
XLogP2.82
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide?
The IUPAC name of N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide (CID 175394496) is N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide.
What is the SMILES notation for N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide?
The canonical SMILES for N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide is COc1cc(OC)cc(-c2ccc3c(NC=O)n[nH]c3c2)c1.
What is the InChIKey of N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide?
The InChIKey is UHAJHKQRKVJQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-12-5-11(6-13(8-12)22-2)10-3-4-14-15(7-10)18-19-16(14)17-9-20/h3-9H,1-2H3,(H2,17,18,19,20).
What are the key properties of N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide?
N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide has a molecular weight of 297.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide is sourced from PubChem (CID 175394496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).