4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide

C13H13N5O2 — CID 63102295

IUPAC4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide
SMILESCCc1nc2cc(NC(=O)c3[nH]ncc3N)ccc2o1
InChIInChI=1S/C13H13N5O2/c1-2-11-17-9-5-7(3-4-10(9)20-11)16-13(19)12-8(14)6-15-18-12/h3-6H,2,14H2,1H3,(H,15,18)(H,16,19)
InChIKeyYZTPTBSLTUESHK-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.95
Rot. Bonds3

About 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide

4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide (PubChem CID 63102295) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide
PubChem CID63102295
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide
SMILESCCc1nc2cc(NC(=O)c3[nH]ncc3N)ccc2o1
InChIInChI=1S/C13H13N5O2/c1-2-11-17-9-5-7(3-4-10(9)20-11)16-13(19)12-8(14)6-15-18-12/h3-6H,2,14H2,1H3,(H,15,18)(H,16,19)
InChIKeyYZTPTBSLTUESHK-UHFFFAOYSA-N
XLogP1.95
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
CID 75526044
5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
CID 103803702
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60933557
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050
6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
CID 60945929
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615
N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide
CID 60556890
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide (CID 63102295) is 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide is CCc1nc2cc(NC(=O)c3[nH]ncc3N)ccc2o1.
What is the InChIKey of 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is YZTPTBSLTUESHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-2-11-17-9-5-7(3-4-10(9)20-11)16-13(19)12-8(14)6-15-18-12/h3-6H,2,14H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63102295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).