3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid

C12H15N3O3 — CID 119066449

IUPAC3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1CC(C(=O)O)C1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C12H15N3O3/c16-11(13-8-3-7(4-8)12(17)18)10-5-9(14-15-10)6-1-2-6/h5-8H,1-4H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyGMLFLIVQQGQNAZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.88
Rot. Bonds4

About 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid

3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 119066449) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID119066449
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1CC(C(=O)O)C1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C12H15N3O3/c16-11(13-8-3-7(4-8)12(17)18)10-5-9(14-15-10)6-1-2-6/h5-8H,1-4H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyGMLFLIVQQGQNAZ-UHFFFAOYSA-N
XLogP0.88
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 119066449) is 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1CC(C(=O)O)C1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is GMLFLIVQQGQNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-11(13-8-3-7(4-8)12(17)18)10-5-9(14-15-10)6-1-2-6/h5-8H,1-4H2,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 119066449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).