N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C15H16N4O2 — CID 744838

IUPACN-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NN=Cc1cccc(O)c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H16N4O2/c20-11-5-3-4-10(8-11)9-16-19-15(21)14-12-6-1-2-7-13(12)17-18-14/h3-5,8-9,20H,1-2,6-7H2,(H,17,18)(H,19,21)
InChIKeyYINUSXMYVSVDGF-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.76
Rot. Bonds3

About N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 744838) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID744838
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NN=Cc1cccc(O)c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H16N4O2/c20-11-5-3-4-10(8-11)9-16-19-15(21)14-12-6-1-2-7-13(12)17-18-14/h3-5,8-9,20H,1-2,6-7H2,(H,17,18)(H,19,21)
InChIKeyYINUSXMYVSVDGF-UHFFFAOYSA-N
XLogP1.76
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 6865820
N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5437376
N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5399697
N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 744810
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 136661272
N-[(Z)-(4-methylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5392938
N-[(2,6-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687582
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5400012
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 6871485
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 136861830
N-[(4-propan-2-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687707
N-[(4-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3677642

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 744838) is N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NN=Cc1cccc(O)c1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is YINUSXMYVSVDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-11-5-3-4-10(8-11)9-16-19-15(21)14-12-6-1-2-7-13(12)17-18-14/h3-5,8-9,20H,1-2,6-7H2,(H,17,18)(H,19,21).
What are the key properties of N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 744838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).