4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid

C12H14N2O3S — CID 66437561

IUPAC4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
SMILESCC(C)n1ccc(COc2csc(C(=O)O)c2)n1
InChIInChI=1S/C12H14N2O3S/c1-8(2)14-4-3-9(13-14)6-17-10-5-11(12(15)16)18-7-10/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyXZVRUWYLLGJMKI-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.80
Rot. Bonds5

About 4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid

4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66437561) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID66437561
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
SMILESCC(C)n1ccc(COc2csc(C(=O)O)c2)n1
InChIInChI=1S/C12H14N2O3S/c1-8(2)14-4-3-9(13-14)6-17-10-5-11(12(15)16)18-7-10/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyXZVRUWYLLGJMKI-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 64773216
4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 66438656
4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]thiophene-2-carboxylic acid
CID 66438006
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 82827376
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 66438891
4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66436704
3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 107077483
4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 66437775
(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64771249
3-[[4-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772205
(1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
CID 64773103

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid (CID 66437561) is 4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid is CC(C)n1ccc(COc2csc(C(=O)O)c2)n1.
What is the InChIKey of 4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is XZVRUWYLLGJMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8(2)14-4-3-9(13-14)6-17-10-5-11(12(15)16)18-7-10/h3-5,7-8H,6H2,1-2H3,(H,15,16).
What are the key properties of 4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid?
4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66437561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).