methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate

C12H16N2O2 — CID 71651121

IUPACmethyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate
SMILESCOC(=O)C1CC(c2ccc(C)cc2)NN1
InChIInChI=1S/C12H16N2O2/c1-8-3-5-9(6-4-8)10-7-11(14-13-10)12(15)16-2/h3-6,10-11,13-14H,7H2,1-2H3
InChIKeyTVLMYQKUSFLNMV-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.08
Rot. Bonds2

About methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate

methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate (PubChem CID 71651121) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate
PubChem CID71651121
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate
SMILESCOC(=O)C1CC(c2ccc(C)cc2)NN1
InChIInChI=1S/C12H16N2O2/c1-8-3-5-9(6-4-8)10-7-11(14-13-10)12(15)16-2/h3-6,10-11,13-14H,7H2,1-2H3
InChIKeyTVLMYQKUSFLNMV-UHFFFAOYSA-N
XLogP1.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxylate
CID 78292346
methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 74486868
N-(3,5-dimethylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605659
5-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-3-carboxamide
CID 74459525
methyl 5-(4-methylphenyl)-1-oxo-1,4-thiazinane-3-carboxylate
CID 65170988
5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75085732
methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
CID 78292345
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75283567
N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605889
1-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]-3-phenylthiourea
CID 78364812
2-O-ethyl 4-O-methyl (2S,4S,5R)-5-(4-methylphenyl)pyrrolidine-2,4-dicarboxylate
CID 102082922
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 75605811

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate?
The IUPAC name of methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate (CID 71651121) is methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate?
The canonical SMILES for methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate is COC(=O)C1CC(c2ccc(C)cc2)NN1.
What is the InChIKey of methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate?
The InChIKey is TVLMYQKUSFLNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-3-5-9(6-4-8)10-7-11(14-13-10)12(15)16-2/h3-6,10-11,13-14H,7H2,1-2H3.
What are the key properties of methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate?
methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate is sourced from PubChem (CID 71651121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).