2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid

C9H8N2O2S — CID 14911019

IUPAC2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
SMILESO=C(O)Cc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C9H8N2O2S/c12-9(13)5-6-4-7(11-10-6)8-2-1-3-14-8/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKeyMLCQBCIEJYEYCL-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.77
Rot. Bonds3

About 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid

2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid (PubChem CID 14911019) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
PubChem CID14911019
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
SMILESO=C(O)Cc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C9H8N2O2S/c12-9(13)5-6-4-7(11-10-6)8-2-1-3-14-8/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKeyMLCQBCIEJYEYCL-UHFFFAOYSA-N
XLogP1.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile
CID 14911014
2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
CID 62733596
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate
CID 175261379
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid
CID 82392813
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]acetamide
CID 77086004
5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446483
ethane;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
CID 156804931
N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide
CID 56741601
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097
4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852075
2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852202
N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide
CID 50974595

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid?
The IUPAC name of 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid (CID 14911019) is 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid is O=C(O)Cc1cc(-c2cccs2)n[nH]1.
What is the InChIKey of 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid?
The InChIKey is MLCQBCIEJYEYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-9(13)5-6-4-7(11-10-6)8-2-1-3-14-8/h1-4H,5H2,(H,10,11)(H,12,13).
What are the key properties of 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid?
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid has a molecular weight of 208.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid is sourced from PubChem (CID 14911019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).