N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide

C19H18N4O2 — CID 8979934

IUPACN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-18-9-7-17(8-10-18)19(24)22-20-11-16-12-21-23(14-16)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,22,24)/b20-11-
InChIKeyJVSUNQWZOXSNLE-JAIQZWGSSA-N
MW334.38 g/mol
LogP2.70
Rot. Bonds6

About N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide

N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide (PubChem CID 8979934) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
PubChem CID8979934
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-18-9-7-17(8-10-18)19(24)22-20-11-16-12-21-23(14-16)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,22,24)/b20-11-
InChIKeyJVSUNQWZOXSNLE-JAIQZWGSSA-N
XLogP2.70
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 8981663
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 8981368
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide
CID 8982077
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 8979050
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 8974554
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide
CID 8979035
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724961
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 8979040
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 8929267

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide (CID 8979934) is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2cnn(Cc3ccccc3)c2)cc1.
What is the InChIKey of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide?
The InChIKey is JVSUNQWZOXSNLE-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-18-9-7-17(8-10-18)19(24)22-20-11-16-12-21-23(14-16)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,22,24)/b20-11-.
What are the key properties of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide?
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide has a molecular weight of 334.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 8979934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).