N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

C18H16N4O2 — CID 760975

IUPACN-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NN=Cc2ccccc2)[nH]n1
InChIInChI=1S/C18H16N4O2/c1-24-17-10-6-5-9-14(17)15-11-16(21-20-15)18(23)22-19-12-13-7-3-2-4-8-13/h2-12H,1H3,(H,20,21)(H,22,23)
InChIKeyWFHWOLLSZRTRFF-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.85
Rot. Bonds5

About N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 760975) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID760975
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NN=Cc2ccccc2)[nH]n1
InChIInChI=1S/C18H16N4O2/c1-24-17-10-6-5-9-14(17)15-11-16(21-20-15)18(23)22-19-12-13-7-3-2-4-8-13/h2-12H,1H3,(H,20,21)(H,22,23)
InChIKeyWFHWOLLSZRTRFF-UHFFFAOYSA-N
XLogP2.85
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.85
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-[(Z)-(4-ethylphenyl)methylideneamino]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6256744
3-(2,5-dimethoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2047421
N-[(E)-(3,5-dimethyl-2-phenyl-1H-pyrazol-2-ium-4-yl)methylideneamino]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135624099
N-[(3,5-dimethyl-2-phenyl-1H-pyrazol-2-ium-4-yl)methylideneamino]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135398985
3-(2-butoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6888513
3-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128639
3-(2-ethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4550121
3-(2-ethoxyphenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6880808
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-[2-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
CID 6889185
3-(4-methoxyphenyl)-N-[(E)-(4-phenylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6890817
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135647068

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 760975) is N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NN=Cc2ccccc2)[nH]n1.
What is the InChIKey of N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WFHWOLLSZRTRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-17-10-6-5-9-14(17)15-11-16(21-20-15)18(23)22-19-12-13-7-3-2-4-8-13/h2-12H,1H3,(H,20,21)(H,22,23).
What are the key properties of N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 760975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).