(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C14H16N4O2 — CID 62082873

IUPAC(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCOc3ccccc32)c1N
InChIInChI=1S/C14H16N4O2/c1-2-9-12(15)13(17-16-9)14(19)18-7-8-20-11-6-4-3-5-10(11)18/h3-6H,2,7-8,15H2,1H3,(H,16,17)
InChIKeyUUVITDMIJVLPBR-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.59
Rot. Bonds2

About (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 62082873) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID62082873
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCOc3ccccc32)c1N
InChIInChI=1S/C14H16N4O2/c1-2-9-12(15)13(17-16-9)14(19)18-7-8-20-11-6-4-3-5-10(11)18/h3-6H,2,7-8,15H2,1H3,(H,16,17)
InChIKeyUUVITDMIJVLPBR-UHFFFAOYSA-N
XLogP1.59
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 62082873) is (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is CCc1[nH]nc(C(=O)N2CCOc3ccccc32)c1N.
What is the InChIKey of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is UUVITDMIJVLPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-9-12(15)13(17-16-9)14(19)18-7-8-20-11-6-4-3-5-10(11)18/h3-6H,2,7-8,15H2,1H3,(H,16,17).
What are the key properties of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 62082873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).