[(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate

C13H13ClN4O2 — CID 19290062

IUPAC[(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate
SMILESCc1c(Cl)cnn1CC(=O)O/N=C(\N)c1ccccc1
InChIInChI=1S/C13H13ClN4O2/c1-9-11(14)7-16-18(9)8-12(19)20-17-13(15)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,15,17)
InChIKeyKERIFWUYGKNJIG-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.71
Rot. Bonds4

About [(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate

[(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate (PubChem CID 19290062) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is [(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate.

Molecular Properties

Compound Name[(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate
PubChem CID19290062
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name[(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate
SMILESCc1c(Cl)cnn1CC(=O)O/N=C(\N)c1ccccc1
InChIInChI=1S/C13H13ClN4O2/c1-9-11(14)7-16-18(9)8-12(19)20-17-13(15)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,15,17)
InChIKeyKERIFWUYGKNJIG-UHFFFAOYSA-N
XLogP1.71
TPSA82.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-phenyl-1H-pyrazol-1-yl)acetic acid
CID 21645176
[(Z)-[amino(phenyl)methylidene]amino] 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetate
CID 19290057
[(Z)-[amino(phenyl)methylidene]amino] 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 19290069
[(Z)-[amino(phenyl)methylidene]amino] 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 19290074
[(Z)-[amino(phenyl)methylidene]amino] 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate
CID 19290083
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chloro-1-ethylpyrazole-5-carboxylate
CID 19290234
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-(3-methylpyrazol-1-yl)acetate
CID 19291822
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-(4-bromo-3-methylpyrazol-1-yl)acetate
CID 19291823
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-(4-chloro-3-methylpyrazol-1-yl)acetate
CID 19291866
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 3-(5-methylpyrazol-1-yl)propanoate
CID 19291891
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-(5-methylpyrazol-1-yl)acetate
CID 19291892
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetate
CID 19291894

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate?
The IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate (CID 19290062) is [(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate.
What is the SMILES notation for [(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate?
The canonical SMILES for [(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate is Cc1c(Cl)cnn1CC(=O)O/N=C(\N)c1ccccc1.
What is the InChIKey of [(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate?
The InChIKey is KERIFWUYGKNJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-9-11(14)7-16-18(9)8-12(19)20-17-13(15)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,15,17).
What are the key properties of [(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate?
[(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate has a molecular weight of 292.73 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate is sourced from PubChem (CID 19290062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).