5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine

C14H22N4O3 — CID 134071908

IUPAC5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine
SMILESCCC1NNC(NCc2ccc(OC)c([N+](=O)[O-])c2)C1C
InChIInChI=1S/C14H22N4O3/c1-4-11-9(2)14(17-16-11)15-8-10-5-6-13(21-3)12(7-10)18(19)20/h5-7,9,11,14-17H,4,8H2,1-3H3
InChIKeyGQVJJUGAWFOXCM-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.54
Rot. Bonds6

About 5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine

5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine (PubChem CID 134071908) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine.

Molecular Properties

Compound Name5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine
PubChem CID134071908
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine
SMILESCCC1NNC(NCc2ccc(OC)c([N+](=O)[O-])c2)C1C
InChIInChI=1S/C14H22N4O3/c1-4-11-9(2)14(17-16-11)15-8-10-5-6-13(21-3)12(7-10)18(19)20/h5-7,9,11,14-17H,4,8H2,1-3H3
InChIKeyGQVJJUGAWFOXCM-UHFFFAOYSA-N
XLogP1.54
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908275
N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
CID 29045280
3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine
CID 65039851
2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
CID 83013842
4-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]aniline
CID 29053395
N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881430
4-[(4-methoxy-3-nitrophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509874
N-[(4-methoxy-3-nitrophenyl)methyl]thian-3-amine
CID 115676048
N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870600
2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine
CID 103700101
2-[(4-methoxy-3-nitrophenyl)methylamino]propan-1-ol
CID 43499927
2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
CID 17385923

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine?
The IUPAC name of 5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine (CID 134071908) is 5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine.
What is the SMILES notation for 5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine?
The canonical SMILES for 5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine is CCC1NNC(NCc2ccc(OC)c([N+](=O)[O-])c2)C1C.
What is the InChIKey of 5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine?
The InChIKey is GQVJJUGAWFOXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-11-9(2)14(17-16-11)15-8-10-5-6-13(21-3)12(7-10)18(19)20/h5-7,9,11,14-17H,4,8H2,1-3H3.
What are the key properties of 5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine?
5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine has a molecular weight of 294.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]-4-methylpyrazolidin-3-amine is sourced from PubChem (CID 134071908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).