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

C6H8N2O2 — CID 50989154

IUPACmethyl 2-(1H-pyrazol-5-yl)acetate
SMILESCOC(=O)Cc1ccn[nH]1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)4-5-2-3-7-8-5/h2-3H,4H2,1H3,(H,7,8)
InChIKeyPBWIWDDODPODHV-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.13
Rot. Bonds2

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

methyl 2-(1H-pyrazol-5-yl)acetate (PubChem CID 50989154) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is methyl 2-(1H-pyrazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-pyrazol-5-yl)acetate
PubChem CID50989154
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Namemethyl 2-(1H-pyrazol-5-yl)acetate
SMILESCOC(=O)Cc1ccn[nH]1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)4-5-2-3-7-8-5/h2-3H,4H2,1H3,(H,7,8)
InChIKeyPBWIWDDODPODHV-UHFFFAOYSA-N
XLogP0.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-(1H-pyrazol-5-yl)acetate
CID 79139219
methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate
CID 79003930
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
CID 79026363
ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate
CID 79040354
methyl 2-(1H-pyrazol-5-ylmethyl)benzoate
CID 90720137
methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride
CID 70074311
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 84591726
2-methoxy-2-(1H-pyrazol-5-ylmethyl)propanedioic acid
CID 148887075
1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea
CID 112729742
2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid
CID 164838203
N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide
CID 75519842

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-pyrazol-5-yl)acetate?
The IUPAC name of methyl 2-(1H-pyrazol-5-yl)acetate (CID 50989154) is methyl 2-(1H-pyrazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(1H-pyrazol-5-yl)acetate?
The canonical SMILES for methyl 2-(1H-pyrazol-5-yl)acetate is COC(=O)Cc1ccn[nH]1.
What is the InChIKey of methyl 2-(1H-pyrazol-5-yl)acetate?
The InChIKey is PBWIWDDODPODHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-10-6(9)4-5-2-3-7-8-5/h2-3H,4H2,1H3,(H,7,8).
What are the key properties of methyl 2-(1H-pyrazol-5-yl)acetate?
methyl 2-(1H-pyrazol-5-yl)acetate has a molecular weight of 140.14 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-pyrazol-5-yl)acetate is sourced from PubChem (CID 50989154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).