N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide

C19H18N4O — CID 8982077

IUPACN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H18N4O/c1-15-7-5-6-10-18(15)19(24)22-20-11-17-12-21-23(14-17)13-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,22,24)/b20-11-
InChIKeyBQRHIQXHYRHADS-JAIQZWGSSA-N
MW318.38 g/mol
LogP3.00
Rot. Bonds5

About N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide

N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide (PubChem CID 8982077) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide
PubChem CID8982077
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H18N4O/c1-15-7-5-6-10-18(15)19(24)22-20-11-17-12-21-23(14-17)13-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,22,24)/b20-11-
InChIKeyBQRHIQXHYRHADS-JAIQZWGSSA-N
XLogP3.00
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
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)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 8979934
(2S)-N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2,3-dimethylphenoxy)propanamide
CID 8980999
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 8929267
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 8974554
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 8979050
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-(2-chlorophenoxy)acetamide
CID 8979035
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 8979040

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide (CID 8982077) is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide is Cc1ccccc1C(=O)N/N=C\c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide?
The InChIKey is BQRHIQXHYRHADS-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H18N4O/c1-15-7-5-6-10-18(15)19(24)22-20-11-17-12-21-23(14-17)13-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,22,24)/b20-11-.
What are the key properties of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide?
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide has a molecular weight of 318.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 8982077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).