N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide

C16H15N3O2 — CID 2594697

IUPACN-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C16H15N3O2/c1-21-12-6-4-5-11(9-12)10-17-16(20)15-13-7-2-3-8-14(13)18-19-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyORAJFODOPSGMMO-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.50
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide

N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide (PubChem CID 2594697) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide
PubChem CID2594697
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C16H15N3O2/c1-21-12-6-4-5-11(9-12)10-17-16(20)15-13-7-2-3-8-14(13)18-19-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyORAJFODOPSGMMO-UHFFFAOYSA-N
XLogP2.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide (CID 2594697) is N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide is COc1cccc(CNC(=O)c2n[nH]c3ccccc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is ORAJFODOPSGMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-12-6-4-5-11(9-12)10-17-16(20)15-13-7-2-3-8-14(13)18-19-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 2594697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).