propyl 2-(1H-pyrazol-5-yl)acetate

C8H12N2O2 — CID 79139219

IUPACpropyl 2-(1H-pyrazol-5-yl)acetate
SMILESCCCOC(=O)Cc1ccn[nH]1
InChIInChI=1S/C8H12N2O2/c1-2-5-12-8(11)6-7-3-4-9-10-7/h3-4H,2,5-6H2,1H3,(H,9,10)
InChIKeyYTSVNRHSYISMHA-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.91
Rot. Bonds4

About propyl 2-(1H-pyrazol-5-yl)acetate

propyl 2-(1H-pyrazol-5-yl)acetate (PubChem CID 79139219) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is propyl 2-(1H-pyrazol-5-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(1H-pyrazol-5-yl)acetate
PubChem CID79139219
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namepropyl 2-(1H-pyrazol-5-yl)acetate
SMILESCCCOC(=O)Cc1ccn[nH]1
InChIInChI=1S/C8H12N2O2/c1-2-5-12-8(11)6-7-3-4-9-10-7/h3-4H,2,5-6H2,1H3,(H,9,10)
InChIKeyYTSVNRHSYISMHA-UHFFFAOYSA-N
XLogP0.91
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1H-pyrazol-5-yl)acetate
CID 50989154
ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate
CID 79040354
ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate
CID 94905304
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
2-(1H-pyrazol-5-yl)acetohydrazide
CID 4196186
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
CID 79026363
ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate
CID 61457429
methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate
CID 79003930
methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride
CID 70074311
1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea
CID 112729742
propyl 2-(4-butylphenyl)acetate
CID 112724824

Frequently Asked Questions

What is the IUPAC name of propyl 2-(1H-pyrazol-5-yl)acetate?
The IUPAC name of propyl 2-(1H-pyrazol-5-yl)acetate (CID 79139219) is propyl 2-(1H-pyrazol-5-yl)acetate.
What is the SMILES notation for propyl 2-(1H-pyrazol-5-yl)acetate?
The canonical SMILES for propyl 2-(1H-pyrazol-5-yl)acetate is CCCOC(=O)Cc1ccn[nH]1.
What is the InChIKey of propyl 2-(1H-pyrazol-5-yl)acetate?
The InChIKey is YTSVNRHSYISMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-5-12-8(11)6-7-3-4-9-10-7/h3-4H,2,5-6H2,1H3,(H,9,10).
What are the key properties of propyl 2-(1H-pyrazol-5-yl)acetate?
propyl 2-(1H-pyrazol-5-yl)acetate has a molecular weight of 168.20 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(1H-pyrazol-5-yl)acetate is sourced from PubChem (CID 79139219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).