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

C14H15N3O2 — CID 62383833

IUPACcyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate
SMILESNc1cccc(-n2ccc(C(=O)OC3CCC3)n2)c1
InChIInChI=1S/C14H15N3O2/c15-10-3-1-4-11(9-10)17-8-7-13(16-17)14(18)19-12-5-2-6-12/h1,3-4,7-9,12H,2,5-6,15H2
InChIKeyBQJHHTRHRNEAGK-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.16
Rot. Bonds3

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

cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate (PubChem CID 62383833) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namecyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate
PubChem CID62383833
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namecyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate
SMILESNc1cccc(-n2ccc(C(=O)OC3CCC3)n2)c1
InChIInChI=1S/C14H15N3O2/c15-10-3-1-4-11(9-10)17-8-7-13(16-17)14(18)19-12-5-2-6-12/h1,3-4,7-9,12H,2,5-6,15H2
InChIKeyBQJHHTRHRNEAGK-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

cyclopropylmethoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 106930469
methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 65365024
cyclobutyl 1-(2-aminophenyl)pyrazole-3-carboxylate
CID 62383835
1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide
CID 43475412
[1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107209960
oxetan-3-yl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 115669822
pentan-2-yl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 102983084
[1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 43475408
1-(3-aminophenyl)-N-propylpyrazole-3-carboxamide
CID 43475405
1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide
CID 65310413
1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 61393305
1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 43475407

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate?
The IUPAC name of cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate (CID 62383833) is cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate?
The canonical SMILES for cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate is Nc1cccc(-n2ccc(C(=O)OC3CCC3)n2)c1.
What is the InChIKey of cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate?
The InChIKey is BQJHHTRHRNEAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-10-3-1-4-11(9-10)17-8-7-13(16-17)14(18)19-12-5-2-6-12/h1,3-4,7-9,12H,2,5-6,15H2.
What are the key properties of cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate?
cyclobutyl 1-(3-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-(3-aminophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 62383833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).