cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate

C14H15N3O2 — CID 62383835

IUPACcyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate
SMILESNc1ccccc1-n1ccc(C(=O)OC2CCC2)n1
InChIInChI=1S/C14H15N3O2/c15-11-6-1-2-7-13(11)17-9-8-12(16-17)14(18)19-10-4-3-5-10/h1-2,6-10H,3-5,15H2
InChIKeyRPXRMAGQTIRYFP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.16
Rot. Bonds3

About cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate

cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate (PubChem CID 62383835) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namecyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate
PubChem CID62383835
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namecyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate
SMILESNc1ccccc1-n1ccc(C(=O)OC2CCC2)n1
InChIInChI=1S/C14H15N3O2/c15-11-6-1-2-7-13(11)17-9-8-12(16-17)14(18)19-10-4-3-5-10/h1-2,6-10H,3-5,15H2
InChIKeyRPXRMAGQTIRYFP-UHFFFAOYSA-N
XLogP2.16
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 62383833
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
benzyl 1-(2-aminophenyl)pyrazole-3-carboxylate
CID 61308676
[1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43475528
3-methoxypropyl 1-(2-aminophenyl)pyrazole-3-carboxylate
CID 61309225
[1-(2-aminophenyl)pyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210007
1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide
CID 63360121
1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide
CID 82733530
1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide
CID 43475571
1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
CID 43475556
[1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone
CID 43541582
cyclohexyl 2-aminobenzoate
CID 24510

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate?
The IUPAC name of cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate (CID 62383835) is cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate?
The canonical SMILES for cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate is Nc1ccccc1-n1ccc(C(=O)OC2CCC2)n1.
What is the InChIKey of cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate?
The InChIKey is RPXRMAGQTIRYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-11-6-1-2-7-13(11)17-9-8-12(16-17)14(18)19-10-4-3-5-10/h1-2,6-10H,3-5,15H2.
What are the key properties of cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate?
cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 62383835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).