2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate

C10H10N2O2S — CID 175261379

IUPAC2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate
SMILESO=COCCc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C10H10N2O2S/c13-7-14-4-3-8-6-9(12-11-8)10-2-1-5-15-10/h1-2,5-7H,3-4H2,(H,11,12)
InChIKeyKJBDQCHBQYJXFI-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.85
Rot. Bonds5

About 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate

2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate (PubChem CID 175261379) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate.

Molecular Properties

Compound Name2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate
PubChem CID175261379
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate
SMILESO=COCCc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C10H10N2O2S/c13-7-14-4-3-8-6-9(12-11-8)10-2-1-5-15-10/h1-2,5-7H,3-4H2,(H,11,12)
InChIKeyKJBDQCHBQYJXFI-UHFFFAOYSA-N
XLogP1.85
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
CID 14911019
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile
CID 14911014
4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852075
2-[3-[4-(diaminomethylideneamino)phenyl]-1H-pyrazol-5-yl]ethyl formate;hydrochloride
CID 175286170
2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852202
5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446483
1-(1-ethylpyrazol-3-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]methanamine
CID 19627680
5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole
CID 23006217
5-(butylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446488
N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide
CID 56741601
N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131942905
2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate
CID 174734795

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate?
The IUPAC name of 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate (CID 175261379) is 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate.
What is the SMILES notation for 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate?
The canonical SMILES for 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate is O=COCCc1cc(-c2cccs2)n[nH]1.
What is the InChIKey of 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate?
The InChIKey is KJBDQCHBQYJXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-7-14-4-3-8-6-9(12-11-8)10-2-1-5-15-10/h1-2,5-7H,3-4H2,(H,11,12).
What are the key properties of 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate?
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate has a molecular weight of 222.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate is sourced from PubChem (CID 175261379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).