1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide

C16H16N4O — CID 86732415

IUPAC1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(Cc2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C16H16N4O/c1-21-12-8-6-11(7-9-12)10-20-14-5-3-2-4-13(14)15(19-20)16(17)18/h2-9H,10H2,1H3,(H3,17,18)
InChIKeyYHPZSFAPCRBNRU-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.38
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide

1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide (PubChem CID 86732415) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide
PubChem CID86732415
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(Cc2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C16H16N4O/c1-21-12-8-6-11(7-9-12)10-20-14-5-3-2-4-13(14)15(19-20)16(17)18/h2-9H,10H2,1H3,(H3,17,18)
InChIKeyYHPZSFAPCRBNRU-UHFFFAOYSA-N
XLogP2.38
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide (CID 86732415) is 1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide is [H]/N=C(\N)c1nn(Cc2ccc(OC)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide?
The InChIKey is YHPZSFAPCRBNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-12-8-6-11(7-9-12)10-20-14-5-3-2-4-13(14)15(19-20)16(17)18/h2-9H,10H2,1H3,(H3,17,18).
What are the key properties of 1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide?
1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide has a molecular weight of 280.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]indazole-3-carboximidamide is sourced from PubChem (CID 86732415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).