5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine

C15H25N3 — CID 76985736

IUPAC5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine
SMILESCCCNC1NNC(c2ccc(CC)cc2)C1C
InChIInChI=1S/C15H25N3/c1-4-10-16-15-11(3)14(17-18-15)13-8-6-12(5-2)7-9-13/h6-9,11,14-18H,4-5,10H2,1-3H3
InChIKeyCAIVOYBEMHQWFE-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.36
Rot. Bonds5

About 5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine

5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine (PubChem CID 76985736) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine
PubChem CID76985736
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine
SMILESCCCNC1NNC(c2ccc(CC)cc2)C1C
InChIInChI=1S/C15H25N3/c1-4-10-16-15-11(3)14(17-18-15)13-8-6-12(5-2)7-9-13/h6-9,11,14-18H,4-5,10H2,1-3H3
InChIKeyCAIVOYBEMHQWFE-UHFFFAOYSA-N
XLogP2.36
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-4-propan-2-yl-N-propylpyrazolidin-3-amine
CID 76985888
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N,2-diethyl-3-(4-ethylphenyl)-4-methylcyclobutan-1-amine
CID 81423023
2,4-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine
CID 81422045
(2S,4R,6R,8S)-2,4,6,8-tetrakis(4-ethylphenyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 100886430
N-ethyl-3-(4-ethylphenyl)-2-methylcyclobutan-1-amine
CID 81417273
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 144529338
1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane
CID 91344204
3-(4-ethylphenyl)-2,5-dimethyl-1,4-thiazepane 1-oxide
CID 66233988
2-(4-ethylphenyl)oxirane
CID 10374595
1,4-diethylbenzene;ethane
CID 91207141

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine?
The IUPAC name of 5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine (CID 76985736) is 5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine.
What is the SMILES notation for 5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine?
The canonical SMILES for 5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine is CCCNC1NNC(c2ccc(CC)cc2)C1C.
What is the InChIKey of 5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine?
The InChIKey is CAIVOYBEMHQWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-10-16-15-11(3)14(17-18-15)13-8-6-12(5-2)7-9-13/h6-9,11,14-18H,4-5,10H2,1-3H3.
What are the key properties of 5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine?
5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-4-methyl-N-propylpyrazolidin-3-amine is sourced from PubChem (CID 76985736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).