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

C19H17N5O4 — CID 8980345

IUPACN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H17N5O4/c25-19(14-28-18-9-5-4-8-17(18)24(26)27)22-20-10-16-11-21-23(13-16)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,22,25)/b20-10-
InChIKeyLQZRLBRFJAMRPY-JMIUGGIZSA-N
MW379.38 g/mol
LogP2.37
Rot. Bonds8

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

N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 8980345) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID8980345
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H17N5O4/c25-19(14-28-18-9-5-4-8-17(18)24(26)27)22-20-10-16-11-21-23(13-16)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,22,25)/b20-10-
InChIKeyLQZRLBRFJAMRPY-JMIUGGIZSA-N
XLogP2.37
TPSA111.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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]-2-(2-chlorophenoxy)acetamide
CID 8979035
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 8979050
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 8979040
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 41270230
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7038077
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 5339776
[4-[[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 1165546
2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 9467219
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1240252
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136773662
2-(2-nitrophenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5457712

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide (CID 8980345) is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is LQZRLBRFJAMRPY-JMIUGGIZSA-N. The full InChI is InChI=1S/C19H17N5O4/c25-19(14-28-18-9-5-4-8-17(18)24(26)27)22-20-10-16-11-21-23(13-16)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,22,25)/b20-10-.
What are the key properties of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 379.38 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 8980345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).