3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid

C8H7N3O2S — CID 82470643

IUPAC3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid
SMILESNc1n[nH]c(C(=O)O)c1-c1cccs1
InChIInChI=1S/C8H7N3O2S/c9-7-5(4-2-1-3-14-4)6(8(12)13)10-11-7/h1-3H,(H,12,13)(H3,9,10,11)
InChIKeyBBCRHLGIQKWBBF-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.42
Rot. Bonds2

About 3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid

3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid (PubChem CID 82470643) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid
PubChem CID82470643
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid
SMILESNc1n[nH]c(C(=O)O)c1-c1cccs1
InChIInChI=1S/C8H7N3O2S/c9-7-5(4-2-1-3-14-4)6(8(12)13)10-11-7/h1-3H,(H,12,13)(H3,9,10,11)
InChIKeyBBCRHLGIQKWBBF-UHFFFAOYSA-N
XLogP1.42
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-2-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)benzoic acid
CID 103431016
2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271730
5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 106861439
4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 62501709
2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271804
5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 55079031
4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 61496475
5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62502378
2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510216
5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62503235
5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 81322945
2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide
CID 99992879

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid (CID 82470643) is 3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid is Nc1n[nH]c(C(=O)O)c1-c1cccs1.
What is the InChIKey of 3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid?
The InChIKey is BBCRHLGIQKWBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c9-7-5(4-2-1-3-14-4)6(8(12)13)10-11-7/h1-3H,(H,12,13)(H3,9,10,11).
What are the key properties of 3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid?
3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 82470643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).