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

C15H15N5O3 — CID 5399697

IUPACN-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H15N5O3/c21-15(14-12-6-1-2-7-13(12)17-18-14)19-16-9-10-4-3-5-11(8-10)20(22)23/h3-5,8-9H,1-2,6-7H2,(H,17,18)(H,19,21)/b16-9-
InChIKeyVNIXCUDZYLMTEZ-SXGWCWSVSA-N
MW313.32 g/mol
LogP1.96
Rot. Bonds4

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

N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 5399697) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID5399697
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H15N5O3/c21-15(14-12-6-1-2-7-13(12)17-18-14)19-16-9-10-4-3-5-11(8-10)20(22)23/h3-5,8-9H,1-2,6-7H2,(H,17,18)(H,19,21)/b16-9-
InChIKeyVNIXCUDZYLMTEZ-SXGWCWSVSA-N
XLogP1.96
TPSA113.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 744838
N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 6865820
N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 744810
N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5437376
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-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 6862137
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 136661272
N-[(4-propan-2-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687707
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 6869343

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 5399697) is N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is VNIXCUDZYLMTEZ-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H15N5O3/c21-15(14-12-6-1-2-7-13(12)17-18-14)19-16-9-10-4-3-5-11(8-10)20(22)23/h3-5,8-9H,1-2,6-7H2,(H,17,18)(H,19,21)/b16-9-.
What are the key properties of N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 5399697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).