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

C11H16N2O2 — CID 81008575

IUPAC2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid
SMILESCCCn1cc(C2CCC2C(=O)O)cn1
InChIInChI=1S/C11H16N2O2/c1-2-5-13-7-8(6-12-13)9-3-4-10(9)11(14)15/h6-7,9-10H,2-5H2,1H3,(H,14,15)
InChIKeyMECVADPWKDTJRA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.87
Rot. Bonds4

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

2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid (PubChem CID 81008575) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid
PubChem CID81008575
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid
SMILESCCCn1cc(C2CCC2C(=O)O)cn1
InChIInChI=1S/C11H16N2O2/c1-2-5-13-7-8(6-12-13)9-3-4-10(9)11(14)15/h6-7,9-10H,2-5H2,1H3,(H,14,15)
InChIKeyMECVADPWKDTJRA-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid (CID 81008575) is 2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid is CCCn1cc(C2CCC2C(=O)O)cn1.
What is the InChIKey of 2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid?
The InChIKey is MECVADPWKDTJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-5-13-7-8(6-12-13)9-3-4-10(9)11(14)15/h6-7,9-10H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid?
2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81008575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).