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

C22H22N4O2 — CID 5437376

IUPACN-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C22H22N4O2/c27-22(21-19-11-4-5-12-20(19)24-25-21)26-23-14-17-9-6-10-18(13-17)28-15-16-7-2-1-3-8-16/h1-3,6-10,13-14H,4-5,11-12,15H2,(H,24,25)(H,26,27)/b23-14-
InChIKeyXCMNNJAOCAVQHO-UCQKPKSFSA-N
MW374.44 g/mol
LogP3.63
Rot. Bonds6

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

N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 5437376) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID5437376
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C22H22N4O2/c27-22(21-19-11-4-5-12-20(19)24-25-21)26-23-14-17-9-6-10-18(13-17)28-15-16-7-2-1-3-8-16/h1-3,6-10,13-14H,4-5,11-12,15H2,(H,24,25)(H,26,27)/b23-14-
InChIKeyXCMNNJAOCAVQHO-UCQKPKSFSA-N
XLogP3.63
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.63
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)-(3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 6865820
N-[(3-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 744838
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
N-(pyridin-3-ylmethylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 744810
N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5399697
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 950938
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6893810
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 6900035
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1219241

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 5437376) is N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is XCMNNJAOCAVQHO-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-22(21-19-11-4-5-12-20(19)24-25-21)26-23-14-17-9-6-10-18(13-17)28-15-16-7-2-1-3-8-16/h1-3,6-10,13-14H,4-5,11-12,15H2,(H,24,25)(H,26,27)/b23-14-.
What are the key properties of N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 5437376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).