1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid

C9H12N2O3 — CID 117233148

IUPAC1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid
SMILESCOc1cnn(C2CCC2)c1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-14-7-5-10-11(6-3-2-4-6)8(7)9(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyNRQVNJLMHMPYJY-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.31
Rot. Bonds3

About 1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid

1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid (PubChem CID 117233148) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid
PubChem CID117233148
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid
SMILESCOc1cnn(C2CCC2)c1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-14-7-5-10-11(6-3-2-4-6)8(7)9(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyNRQVNJLMHMPYJY-UHFFFAOYSA-N
XLogP1.31
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-4-methoxypyrazole-5-carboxylic acid
CID 117231837
1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid
CID 117233178
1-cyclobutyl-5-methoxypyrazole-4-carboxylic acid
CID 115068986
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid
CID 117231819
6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809767
4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one
CID 102534188
1-(1-methylpiperidin-3-yl)-4-phenylmethoxypyrazole-5-carboxylic acid
CID 117232065
1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid
CID 170756114
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809603
(4-methoxy-1-methylpyrazol-5-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114668702
4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232657

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid?
The IUPAC name of 1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid (CID 117233148) is 1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid?
The canonical SMILES for 1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid is COc1cnn(C2CCC2)c1C(=O)O.
What is the InChIKey of 1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid?
The InChIKey is NRQVNJLMHMPYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-7-5-10-11(6-3-2-4-6)8(7)9(12)13/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid?
1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid is sourced from PubChem (CID 117233148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).