1-cyclobutylpyrazole-4-carboxylic acid

C8H10N2O2 — CID 56604618

IUPAC1-cyclobutylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCC2)c1
InChIInChI=1S/C8H10N2O2/c11-8(12)6-4-9-10(5-6)7-2-1-3-7/h4-5,7H,1-3H2,(H,11,12)
InChIKeyYDPDUABHUDEMLW-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.31
Rot. Bonds2

About 1-cyclobutylpyrazole-4-carboxylic acid

1-cyclobutylpyrazole-4-carboxylic acid (PubChem CID 56604618) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-cyclobutylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutylpyrazole-4-carboxylic acid
PubChem CID56604618
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-cyclobutylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCC2)c1
InChIInChI=1S/C8H10N2O2/c11-8(12)6-4-9-10(5-6)7-2-1-3-7/h4-5,7H,1-3H2,(H,11,12)
InChIKeyYDPDUABHUDEMLW-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-1H-pyrazole-4-carboxylic acid
CID 6485386
1-Methyl-1H-pyrazole-4-carboxylic acid
CID 643160
1-ethyl-1H-pyrazole-4-carboxylic acid
CID 832221
1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CID 784155
3-iodo-1-methyl-1H-pyrazole-4-carboxylic acid
CID 11414069
1-(2-chloroethyl)-1H-pyrazole-4-carboxylic acid
CID 16767335
1-tert-Butyl-1H-pyrazole-4-carboxylic acid
CID 24696291
3-(4-methyl-1H-pyrazol-1-yl)propanoic acid
CID 4179918
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-4-carboxylic acid
CID 16490804
1-(2-methylpropyl)-1H-pyrazole-4-carboxylic acid
CID 19620019
1-cyclopentyl-1H-pyrazole-4-carboxylic acid
CID 19620020
1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylic acid
CID 19621868

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpyrazole-4-carboxylic acid?
The IUPAC name of 1-cyclobutylpyrazole-4-carboxylic acid (CID 56604618) is 1-cyclobutylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclobutylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-cyclobutylpyrazole-4-carboxylic acid is O=C(O)c1cnn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutylpyrazole-4-carboxylic acid?
The InChIKey is YDPDUABHUDEMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)6-4-9-10(5-6)7-2-1-3-7/h4-5,7H,1-3H2,(H,11,12).
What are the key properties of 1-cyclobutylpyrazole-4-carboxylic acid?
1-cyclobutylpyrazole-4-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpyrazole-4-carboxylic acid is sourced from PubChem (CID 56604618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).