4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid

C11H12N2O3S — CID 116801908

IUPAC4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid
SMILESCCCn1cc(Oc2csc(C(=O)O)c2)cn1
InChIInChI=1S/C11H12N2O3S/c1-2-3-13-6-9(5-12-13)16-8-4-10(11(14)15)17-7-8/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyZBGZZEDEJBISEE-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.85
Rot. Bonds5

About 4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid

4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid (PubChem CID 116801908) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid
PubChem CID116801908
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid
SMILESCCCn1cc(Oc2csc(C(=O)O)c2)cn1
InChIInChI=1S/C11H12N2O3S/c1-2-3-13-6-9(5-12-13)16-8-4-10(11(14)15)17-7-8/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyZBGZZEDEJBISEE-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 116803992
5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid
CID 116799971
2-nitro-4-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 116800805
6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 116801912
2,6-dimethyl-4-(1-propylpyrazol-4-yl)oxypyridine-3-carboxylic acid
CID 116803994
4-(4-propylphenoxy)thiophene-2-carboxylic acid
CID 113404042
2-propyl-6-(1-propylpyrazol-4-yl)oxypyridine-4-carboxylic acid
CID 116800823
4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid
CID 66438899
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
3-methyl-2-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 107112612
2-bromo-6-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 114888731
1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one
CID 116801615

Frequently Asked Questions

What is the IUPAC name of 4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid?
The IUPAC name of 4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid (CID 116801908) is 4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid?
The canonical SMILES for 4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid is CCCn1cc(Oc2csc(C(=O)O)c2)cn1.
What is the InChIKey of 4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid?
The InChIKey is ZBGZZEDEJBISEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-2-3-13-6-9(5-12-13)16-8-4-10(11(14)15)17-7-8/h4-7H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid?
4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid is sourced from PubChem (CID 116801908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).