1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide

C13H11N5O2 — CID 62902581

IUPAC1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide
SMILESNc1ccccc1-n1ccc(C(=O)Nc2cnoc2)n1
InChIInChI=1S/C13H11N5O2/c14-10-3-1-2-4-12(10)18-6-5-11(17-18)13(19)16-9-7-15-20-8-9/h1-8H,14H2,(H,16,19)
InChIKeyWIWQARKRXUCZOQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.69
Rot. Bonds3

About 1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide

1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide (PubChem CID 62902581) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide
PubChem CID62902581
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide
SMILESNc1ccccc1-n1ccc(C(=O)Nc2cnoc2)n1
InChIInChI=1S/C13H11N5O2/c14-10-3-1-2-4-12(10)18-6-5-11(17-18)13(19)16-9-7-15-20-8-9/h1-8H,14H2,(H,16,19)
InChIKeyWIWQARKRXUCZOQ-UHFFFAOYSA-N
XLogP1.69
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
6-amino-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 62914715
1-(2-aminophenyl)-N-(3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 106327801
1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 63983474
3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 62902054
6-hydrazinyl-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 62913247
1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
CID 43475556
1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide
CID 43498480
[1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43475528
1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide
CID 63360121
1-(2-aminophenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
CID 61112236
1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide
CID 43569580

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide (CID 62902581) is 1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide is Nc1ccccc1-n1ccc(C(=O)Nc2cnoc2)n1.
What is the InChIKey of 1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide?
The InChIKey is WIWQARKRXUCZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c14-10-3-1-2-4-12(10)18-6-5-11(17-18)13(19)16-9-7-15-20-8-9/h1-8H,14H2,(H,16,19).
What are the key properties of 1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide?
1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 62902581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).