2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid

C11H15N3O3 — CID 154846411

IUPAC2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid
SMILESCc1cc(NC(=O)C2CCC2)n(CC(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-7-5-9(14(13-7)6-10(15)16)12-11(17)8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H,12,17)(H,15,16)
InChIKeyWIEBLUSHRGUXQP-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.01
Rot. Bonds4

About 2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid

2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid (PubChem CID 154846411) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid
PubChem CID154846411
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid
SMILESCc1cc(NC(=O)C2CCC2)n(CC(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-7-5-9(14(13-7)6-10(15)16)12-11(17)8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H,12,17)(H,15,16)
InChIKeyWIEBLUSHRGUXQP-UHFFFAOYSA-N
XLogP1.01
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid (CID 154846411) is 2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid is Cc1cc(NC(=O)C2CCC2)n(CC(=O)O)n1.
What is the InChIKey of 2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid?
The InChIKey is WIEBLUSHRGUXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-5-9(14(13-7)6-10(15)16)12-11(17)8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid?
2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 154846411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).