N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C12H12N4O2 — CID 43540252

IUPACN-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1CNc2ccccc2O1
InChIInChI=1S/C12H12N4O2/c17-12(16-8-5-14-15-6-8)11-7-13-9-3-1-2-4-10(9)18-11/h1-6,11,13H,7H2,(H,14,15)(H,16,17)
InChIKeyWRYVXCFZQLIYMA-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.22
Rot. Bonds2

About N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 43540252) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID43540252
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1CNc2ccccc2O1
InChIInChI=1S/C12H12N4O2/c17-12(16-8-5-14-15-6-8)11-7-13-9-3-1-2-4-10(9)18-11/h1-6,11,13H,7H2,(H,14,15)(H,16,17)
InChIKeyWRYVXCFZQLIYMA-UHFFFAOYSA-N
XLogP1.22
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43100505
N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 79240195
N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24694997
N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 116786757
N-(1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 55215106
N-(3-bromo-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107583524
N-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107701393
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947
N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 62811648
N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 116786941
N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24701248
N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 83235668

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 43540252) is N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is O=C(Nc1cn[nH]c1)C1CNc2ccccc2O1.
What is the InChIKey of N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is WRYVXCFZQLIYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c17-12(16-8-5-14-15-6-8)11-7-13-9-3-1-2-4-10(9)18-11/h1-6,11,13H,7H2,(H,14,15)(H,16,17).
What are the key properties of N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 43540252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).