3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide

C15H23N3O — CID 75267874

IUPAC3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide
SMILESCc1ccc(CCC(=O)NC2CC(C)NN2)c(C)c1
InChIInChI=1S/C15H23N3O/c1-10-4-5-13(11(2)8-10)6-7-15(19)16-14-9-12(3)17-18-14/h4-5,8,12,14,17-18H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyDTLUUGRCUXCZPQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.56
Rot. Bonds4

About 3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide

3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide (PubChem CID 75267874) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide
PubChem CID75267874
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide
SMILESCc1ccc(CCC(=O)NC2CC(C)NN2)c(C)c1
InChIInChI=1S/C15H23N3O/c1-10-4-5-13(11(2)8-10)6-7-15(19)16-14-9-12(3)17-18-14/h4-5,8,12,14,17-18H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyDTLUUGRCUXCZPQ-UHFFFAOYSA-N
XLogP1.56
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601203
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119455766
N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119475057
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 91645265
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119609666
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,4-dimethylphenyl)propanamide
CID 134047888
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
2-[cyclopropylmethyl-[3-[3-(2,4-dimethylphenyl)propanoylamino]cyclobutyl]amino]acetic acid
CID 129005509
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide
CID 32868420
N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide
CID 37012024
N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 33155134

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide (CID 75267874) is 3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide is Cc1ccc(CCC(=O)NC2CC(C)NN2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide?
The InChIKey is DTLUUGRCUXCZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-4-5-13(11(2)8-10)6-7-15(19)16-14-9-12(3)17-18-14/h4-5,8,12,14,17-18H,6-7,9H2,1-3H3,(H,16,19).
What are the key properties of 3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide?
3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide is sourced from PubChem (CID 75267874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).