4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid

C9H14N2O3 — CID 117216857

IUPAC4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid
SMILESCOCc1cnn(C(C)C)c1C(=O)O
InChIInChI=1S/C9H14N2O3/c1-6(2)11-8(9(12)13)7(4-10-11)5-14-3/h4,6H,5H2,1-3H3,(H,12,13)
InChIKeyOJRPIQKVQDYNKD-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.31
Rot. Bonds4

About 4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid

4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid (PubChem CID 117216857) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid
PubChem CID117216857
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid
SMILESCOCc1cnn(C(C)C)c1C(=O)O
InChIInChI=1S/C9H14N2O3/c1-6(2)11-8(9(12)13)7(4-10-11)5-14-3/h4,6H,5H2,1-3H3,(H,12,13)
InChIKeyOJRPIQKVQDYNKD-UHFFFAOYSA-N
XLogP1.31
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylsulfonylmethyl)-1-propan-2-ylpyrazole-5-carboxylic acid
CID 117216809
4-fluoro-1-propan-2-ylpyrazole-5-carboxylic acid
CID 58356341
methyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117219177
5-(dimethylcarbamoyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117219065
2,2-diethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641410
4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid
CID 117216852
ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117219180
2,2,3,3-tetrafluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 114032582
2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114639086
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)but-2-en-1-one
CID 103447455
2-cyclopropyl-2-hydroxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 103455882

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid (CID 117216857) is 4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid is COCc1cnn(C(C)C)c1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid?
The InChIKey is OJRPIQKVQDYNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(2)11-8(9(12)13)7(4-10-11)5-14-3/h4,6H,5H2,1-3H3,(H,12,13).
What are the key properties of 4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid?
4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 117216857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).