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

C17H21N5O — CID 5400012

IUPACN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C17H21N5O/c1-22(2)13-9-7-12(8-10-13)11-18-21-17(23)16-14-5-3-4-6-15(14)19-20-16/h7-11H,3-6H2,1-2H3,(H,19,20)(H,21,23)/b18-11-
InChIKeySZJASHOKTAQWGE-WQRHYEAKSA-N
MW311.39 g/mol
LogP2.12
Rot. Bonds4

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

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 5400012) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID5400012
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C17H21N5O/c1-22(2)13-9-7-12(8-10-13)11-18-21-17(23)16-14-5-3-4-6-15(14)19-20-16/h7-11H,3-6H2,1-2H3,(H,19,20)(H,21,23)/b18-11-
InChIKeySZJASHOKTAQWGE-WQRHYEAKSA-N
XLogP2.12
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
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)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 6871485
N-[(Z)-(4-methylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5392938
N-[(4-propan-2-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687707
N-[(4-propan-2-ylphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3831374
N-[(4-methoxyphenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3677642
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 136661272
N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 744838
N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 744810
N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 6865820
N-[(2,6-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 687582
N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5399697
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)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 5400012) is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CN(C)c1ccc(/C=N\NC(=O)c2n[nH]c3c2CCCC3)cc1.
What is the InChIKey of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is SZJASHOKTAQWGE-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H21N5O/c1-22(2)13-9-7-12(8-10-13)11-18-21-17(23)16-14-5-3-4-6-15(14)19-20-16/h7-11H,3-6H2,1-2H3,(H,19,20)(H,21,23)/b18-11-.
What are the key properties of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 5400012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).