5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid

C10H11N5O2S — CID 103294132

IUPAC5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid
SMILESCCSc1nn(-c2cccnn2)c(N)c1C(=O)O
InChIInChI=1S/C10H11N5O2S/c1-2-18-9-7(10(16)17)8(11)15(14-9)6-4-3-5-12-13-6/h3-5H,2,11H2,1H3,(H,16,17)
InChIKeyLHQZJPQIVGTSLG-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.05
Rot. Bonds4

About 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid

5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid (PubChem CID 103294132) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid
PubChem CID103294132
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid
SMILESCCSc1nn(-c2cccnn2)c(N)c1C(=O)O
InChIInChI=1S/C10H11N5O2S/c1-2-18-9-7(10(16)17)8(11)15(14-9)6-4-3-5-12-13-6/h3-5H,2,11H2,1H3,(H,16,17)
InChIKeyLHQZJPQIVGTSLG-UHFFFAOYSA-N
XLogP1.05
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate
CID 103294179
4,5-dimethyl-2-pyridazin-3-ylpyrazol-3-amine
CID 103294294
5-amino-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 135371375
4-propylsulfanyl-1-pyridazin-3-ylpyrazol-5-amine
CID 103293743
5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 103294248
4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid
CID 103293828
5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 103294118
3-propan-2-yl-1-pyridazin-3-ylpyrazol-5-amine
CID 103294292
3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 103294259
methyl 4-bromo-5-propan-2-yl-1-pyridazin-3-ylpyrazole-3-carboxylate
CID 103293788
5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 71255665
acetic acid;pyridazine-3-carboxylic acid
CID 162329499

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid (CID 103294132) is 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid is CCSc1nn(-c2cccnn2)c(N)c1C(=O)O.
What is the InChIKey of 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid?
The InChIKey is LHQZJPQIVGTSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-2-18-9-7(10(16)17)8(11)15(14-9)6-4-3-5-12-13-6/h3-5H,2,11H2,1H3,(H,16,17).
What are the key properties of 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid?
5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid has a molecular weight of 265.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 103294132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).