N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide

C12H15IN4O2 — CID 137295622

IUPACN-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide
SMILESCC1CC(C(=O)N/N=C/c2ccc(O)c(I)c2)NN1
InChIInChI=1S/C12H15IN4O2/c1-7-4-10(16-15-7)12(19)17-14-6-8-2-3-11(18)9(13)5-8/h2-3,5-7,10,15-16,18H,4H2,1H3,(H,17,19)/b14-6+
InChIKeyNINMKSVCLVISMA-MKMNVTDBSA-N
MW374.18 g/mol
LogP0.70
Rot. Bonds3

About N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide

N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide (PubChem CID 137295622) has the molecular formula C12H15IN4O2 and a molecular weight of 374.18 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide
PubChem CID137295622
Molecular FormulaC12H15IN4O2
Molecular Weight374.18 g/mol
Exact Mass374.02
IUPAC NameN-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide
SMILESCC1CC(C(=O)N/N=C/c2ccc(O)c(I)c2)NN1
InChIInChI=1S/C12H15IN4O2/c1-7-4-10(16-15-7)12(19)17-14-6-8-2-3-11(18)9(13)5-8/h2-3,5-7,10,15-16,18H,4H2,1H3,(H,17,19)/b14-6+
InChIKeyNINMKSVCLVISMA-MKMNVTDBSA-N
XLogP0.70
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]carbamate
CID 135648465
5-(2,4-dichlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137270540
N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide
CID 137295628
N-[(4-hydroxy-3-iodophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3531966
5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137263358
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137080354
2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 135642762
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135619927
1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea
CID 137100184
3-(dimethylamino)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137050197
2-(4-tert-butylphenyl)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 135647151
2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 135643998

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide (CID 137295622) is N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide is CC1CC(C(=O)N/N=C/c2ccc(O)c(I)c2)NN1.
What is the InChIKey of N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide?
The InChIKey is NINMKSVCLVISMA-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H15IN4O2/c1-7-4-10(16-15-7)12(19)17-14-6-8-2-3-11(18)9(13)5-8/h2-3,5-7,10,15-16,18H,4H2,1H3,(H,17,19)/b14-6+.
What are the key properties of N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide?
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide has a molecular weight of 374.18 g/mol, XLogP of 0.70, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-5-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 137295622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).