N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide

C22H24N4O3 — CID 8981663

IUPACN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)N/N=C\c2cnn(Cc3ccccc3)c2)ccc1OC(C)C
InChIInChI=1S/C22H24N4O3/c1-16(2)29-20-10-9-19(11-21(20)28-3)22(27)25-23-12-18-13-24-26(15-18)14-17-7-5-4-6-8-17/h4-13,15-16H,14H2,1-3H3,(H,25,27)/b23-12-
InChIKeyCLFSXLUFSNSTMD-FMCGGJTJSA-N
MW392.46 g/mol
LogP3.49
Rot. Bonds8

About N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide

N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide (PubChem CID 8981663) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
PubChem CID8981663
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)N/N=C\c2cnn(Cc3ccccc3)c2)ccc1OC(C)C
InChIInChI=1S/C22H24N4O3/c1-16(2)29-20-10-9-19(11-21(20)28-3)22(27)25-23-12-18-13-24-26(15-18)14-17-7-5-4-6-8-17/h4-13,15-16H,14H2,1-3H3,(H,25,27)/b23-12-
InChIKeyCLFSXLUFSNSTMD-FMCGGJTJSA-N
XLogP3.49
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-propoxybenzamide
CID 8981368
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 8979934
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
(2S)-N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2,3-dimethylphenoxy)propanamide
CID 8980999
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide
CID 8982077
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804715
1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523865
3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 6911550
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide
CID 8979035
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804638
4-methoxy-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 40551611

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide (CID 8981663) is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)N/N=C\c2cnn(Cc3ccccc3)c2)ccc1OC(C)C.
What is the InChIKey of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is CLFSXLUFSNSTMD-FMCGGJTJSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16(2)29-20-10-9-19(11-21(20)28-3)22(27)25-23-12-18-13-24-26(15-18)14-17-7-5-4-6-8-17/h4-13,15-16H,14H2,1-3H3,(H,25,27)/b23-12-.
What are the key properties of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide?
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 392.46 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 8981663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).