N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

C19H18N4O2 — CID 724961

IUPACN-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCOc1ccc(C=NNC(=O)c2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-18-8-6-15(7-9-18)13-20-22-19(24)17-5-2-4-16(12-17)14-23-11-3-10-21-23/h2-13H,14H2,1H3,(H,22,24)
InChIKeyRAJBHBQJKSDUOA-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.70
Rot. Bonds6

About N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide

N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 724961) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID724961
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCOc1ccc(C=NNC(=O)c2cccc(Cn3cccn3)c2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-18-8-6-15(7-9-18)13-20-22-19(24)17-5-2-4-16(12-17)14-23-11-3-10-21-23/h2-13H,14H2,1H3,(H,22,24)
InChIKeyRAJBHBQJKSDUOA-UHFFFAOYSA-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-[(3-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724894
3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
CID 5397773
N-[(3-chlorophenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 725007
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724913
N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide
CID 3667212
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 136858110
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 1268478
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 135688732
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 8979934
3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 66638537
4-(dihydroxyamino)-2-nitro-6-[(E)-[[3-(pyrazol-1-ylmethyl)benzoyl]hydrazinylidene]methyl]phenolate
CID 137215945
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide (CID 724961) is N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide is COc1ccc(C=NNC(=O)c2cccc(Cn3cccn3)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is RAJBHBQJKSDUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-18-8-6-15(7-9-18)13-20-22-19(24)17-5-2-4-16(12-17)14-23-11-3-10-21-23/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide?
N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide 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-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 724961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).