2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid

C15H17N3O2 — CID 146095809

IUPAC2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid
SMILESCn1cc(-c2ccc(NC3CCC3)c(C(=O)O)c2)cn1
InChIInChI=1S/C15H17N3O2/c1-18-9-11(8-16-18)10-5-6-14(13(7-10)15(19)20)17-12-3-2-4-12/h5-9,12,17H,2-4H2,1H3,(H,19,20)
InChIKeyANOAMULIAJVJQC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.75
Rot. Bonds4

About 2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid

2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid (PubChem CID 146095809) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid
PubChem CID146095809
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid
SMILESCn1cc(-c2ccc(NC3CCC3)c(C(=O)O)c2)cn1
InChIInChI=1S/C15H17N3O2/c1-18-9-11(8-16-18)10-5-6-14(13(7-10)15(19)20)17-12-3-2-4-12/h5-9,12,17H,2-4H2,1H3,(H,19,20)
InChIKeyANOAMULIAJVJQC-UHFFFAOYSA-N
XLogP2.75
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid?
The IUPAC name of 2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid (CID 146095809) is 2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid.
What is the SMILES notation for 2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid?
The canonical SMILES for 2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid is Cn1cc(-c2ccc(NC3CCC3)c(C(=O)O)c2)cn1.
What is the InChIKey of 2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid?
The InChIKey is ANOAMULIAJVJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18-9-11(8-16-18)10-5-6-14(13(7-10)15(19)20)17-12-3-2-4-12/h5-9,12,17H,2-4H2,1H3,(H,19,20).
What are the key properties of 2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid?
2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid is sourced from PubChem (CID 146095809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).