methyl 5-propylpyrazolidine-3-carboxylate

C8H16N2O2 — CID 170069349

IUPACmethyl 5-propylpyrazolidine-3-carboxylate
SMILESCCCC1CC(C(=O)OC)NN1
InChIInChI=1S/C8H16N2O2/c1-3-4-6-5-7(10-9-6)8(11)12-2/h6-7,9-10H,3-5H2,1-2H3
InChIKeyJNCWVMZGKDAVNO-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.19
Rot. Bonds3

About methyl 5-propylpyrazolidine-3-carboxylate

methyl 5-propylpyrazolidine-3-carboxylate (PubChem CID 170069349) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methyl 5-propylpyrazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-propylpyrazolidine-3-carboxylate
PubChem CID170069349
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namemethyl 5-propylpyrazolidine-3-carboxylate
SMILESCCCC1CC(C(=O)OC)NN1
InChIInChI=1S/C8H16N2O2/c1-3-4-6-5-7(10-9-6)8(11)12-2/h6-7,9-10H,3-5H2,1-2H3
InChIKeyJNCWVMZGKDAVNO-UHFFFAOYSA-N
XLogP0.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-propylcyclobutane-1-carboxylate
CID 97034582
methyl (2S,4R)-2-propyl-1,3-thiazolidine-4-carboxylate
CID 101131834
methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate
CID 71651121
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
CID 78292345
methyl (2R,3S)-3-propylaziridine-2-carboxylate
CID 15249125
methyl 5-(5-chloro-2,4-diethoxyphenyl)pyrazolidine-3-carboxylate
CID 133212938
methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate
CID 142507382
methyl 7-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine-3-carboxylate
CID 65170927
N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide
CID 78081233
methyl (2S)-4-iodopyrrolidine-2-carboxylate
CID 70651228
methyl 4-[2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 70376540

Frequently Asked Questions

What is the IUPAC name of methyl 5-propylpyrazolidine-3-carboxylate?
The IUPAC name of methyl 5-propylpyrazolidine-3-carboxylate (CID 170069349) is methyl 5-propylpyrazolidine-3-carboxylate.
What is the SMILES notation for methyl 5-propylpyrazolidine-3-carboxylate?
The canonical SMILES for methyl 5-propylpyrazolidine-3-carboxylate is CCCC1CC(C(=O)OC)NN1.
What is the InChIKey of methyl 5-propylpyrazolidine-3-carboxylate?
The InChIKey is JNCWVMZGKDAVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-4-6-5-7(10-9-6)8(11)12-2/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of methyl 5-propylpyrazolidine-3-carboxylate?
methyl 5-propylpyrazolidine-3-carboxylate has a molecular weight of 172.23 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-propylpyrazolidine-3-carboxylate is sourced from PubChem (CID 170069349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).