2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid

C10H8ClN3O3S — CID 66591784

IUPAC2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(-c2ccc(Cl)s2)[nH]n1
InChIInChI=1S/C10H8ClN3O3S/c11-8-2-1-7(18-8)5-3-6(14-13-5)10(17)12-4-9(15)16/h1-3H,4H2,(H,12,17)(H,13,14)(H,15,16)
InChIKeyJSKJZDUKZUKCPJ-UHFFFAOYSA-N
MW285.71 g/mol
LogP1.61
Rot. Bonds4

About 2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid

2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid (PubChem CID 66591784) has the molecular formula C10H8ClN3O3S and a molecular weight of 285.71 g/mol. Its IUPAC name is 2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid
PubChem CID66591784
Molecular FormulaC10H8ClN3O3S
Molecular Weight285.71 g/mol
Exact Mass285.00
IUPAC Name2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(-c2ccc(Cl)s2)[nH]n1
InChIInChI=1S/C10H8ClN3O3S/c11-8-2-1-7(18-8)5-3-6(14-13-5)10(17)12-4-9(15)16/h1-3H,4H2,(H,12,17)(H,13,14)(H,15,16)
InChIKeyJSKJZDUKZUKCPJ-UHFFFAOYSA-N
XLogP1.61
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid (CID 66591784) is 2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1cc(-c2ccc(Cl)s2)[nH]n1.
What is the InChIKey of 2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid?
The InChIKey is JSKJZDUKZUKCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3S/c11-8-2-1-7(18-8)5-3-6(14-13-5)10(17)12-4-9(15)16/h1-3H,4H2,(H,12,17)(H,13,14)(H,15,16).
What are the key properties of 2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid?
2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid has a molecular weight of 285.71 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 66591784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).