N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide

C15H15N5O6 — CID 163124481

IUPACN-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide
SMILESCc1occc1C(=O)NNC(=O)c1ccc(Cn2cc([NH+]([O-])O)cn2)o1
InChIInChI=1S/C15H15N5O6/c1-9-12(4-5-25-9)14(21)17-18-15(22)13-3-2-11(26-13)8-19-7-10(6-16-19)20(23)24/h2-7,20,23H,8H2,1H3,(H,17,21)(H,18,22)
InChIKeyCTIAPXBFNFPFFK-UHFFFAOYSA-N
MW361.31 g/mol
LogP-0.10
Rot. Bonds5

About N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide

N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide (PubChem CID 163124481) has the molecular formula C15H15N5O6 and a molecular weight of 361.31 g/mol. Its IUPAC name is N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide.

Molecular Properties

Compound NameN-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide
PubChem CID163124481
Molecular FormulaC15H15N5O6
Molecular Weight361.31 g/mol
Exact Mass361.10
IUPAC NameN-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide
SMILESCc1occc1C(=O)NNC(=O)c1ccc(Cn2cc([NH+]([O-])O)cn2)o1
InChIInChI=1S/C15H15N5O6/c1-9-12(4-5-25-9)14(21)17-18-15(22)13-3-2-11(26-13)8-19-7-10(6-16-19)20(23)24/h2-7,20,23H,8H2,1H3,(H,17,21)(H,18,22)
InChIKeyCTIAPXBFNFPFFK-UHFFFAOYSA-N
XLogP-0.10
TPSA150.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[N-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylfuran-3-carboxamide
CID 3532118
5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 5059082
N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide
CID 30137081
N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide
CID 71978749
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 95280433
5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide
CID 114273838
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-3-carboxamide
CID 35761745
5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 3574616
5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35334176
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71923929
5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 44820958
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide?
The IUPAC name of N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide (CID 163124481) is N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide.
What is the SMILES notation for N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide?
The canonical SMILES for N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide is Cc1occc1C(=O)NNC(=O)c1ccc(Cn2cc([NH+]([O-])O)cn2)o1.
What is the InChIKey of N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide?
The InChIKey is CTIAPXBFNFPFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O6/c1-9-12(4-5-25-9)14(21)17-18-15(22)13-3-2-11(26-13)8-19-7-10(6-16-19)20(23)24/h2-7,20,23H,8H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide?
N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide has a molecular weight of 361.31 g/mol, XLogP of -0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[[5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]furan-2-yl]methyl]pyrazol-4-amine oxide is sourced from PubChem (CID 163124481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).