2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide

C14H15ClN4O — CID 5412092

IUPAC2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCCn1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H15ClN4O/c1-2-19-10-12(9-17-19)8-16-18-14(20)7-11-3-5-13(15)6-4-11/h3-6,8-10H,2,7H2,1H3,(H,18,20)/b16-8-
InChIKeyDSLMXVUSWWZKJA-PXNMLYILSA-N
MW290.75 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide (PubChem CID 5412092) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide
PubChem CID5412092
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCCn1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H15ClN4O/c1-2-19-10-12(9-17-19)8-16-18-14(20)7-11-3-5-13(15)6-4-11/h3-6,8-10H,2,7H2,1H3,(H,18,20)/b16-8-
InChIKeyDSLMXVUSWWZKJA-PXNMLYILSA-N
XLogP2.25
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.25
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

4-[(4-Chloro-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 612918
N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 5410782
4-chloro-N'-[(1-ethyl-1H-pyrazol-4-yl)methylene]benzohydrazide
CID 5410821
2-(4-chlorophenyl)-N'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]acetohydrazide
CID 6875136
3-(4-chlorophenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1224643
4-chloro-N'-[(1-methyl-1H-pyrazol-5-yl)methylene]benzohydrazide
CID 5412410
1-(4-chlorobenzyl)-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817759
1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24819189
1-(4-Chlorophenyl)-2-(1H-pyrazol-1-yl)ethanone
CID 43798058
2-chloro-N'-[(1-ethyl-1H-pyrazol-4-yl)methylene]benzohydrazide
CID 5410789
N-(4-chlorobenzyl)-3-(1H-pyrazol-1-yl)propanamide
CID 16026410
1-[(4-chlorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24819574

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide (CID 5412092) is 2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide is CCn1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is DSLMXVUSWWZKJA-PXNMLYILSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-2-19-10-12(9-17-19)8-16-18-14(20)7-11-3-5-13(15)6-4-11/h3-6,8-10H,2,7H2,1H3,(H,18,20)/b16-8-.
What are the key properties of 2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 290.75 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 5412092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).