3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide

C9H9N5O4 — CID 63572603

IUPAC3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H9N5O4/c10-12-9(15)8-6(1-2-18-8)4-13-5-7(3-11-13)14(16)17/h1-3,5H,4,10H2,(H,12,15)
InChIKeyNZJQVMYHTFJQLK-UHFFFAOYSA-N
MW251.20 g/mol
LogP0.04
Rot. Bonds4

About 3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide

3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 63572603) has the molecular formula C9H9N5O4 and a molecular weight of 251.20 g/mol. Its IUPAC name is 3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide
PubChem CID63572603
Molecular FormulaC9H9N5O4
Molecular Weight251.20 g/mol
Exact Mass251.07
IUPAC Name3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H9N5O4/c10-12-9(15)8-6(1-2-18-8)4-13-5-7(3-11-13)14(16)17/h1-3,5H,4,10H2,(H,12,15)
InChIKeyNZJQVMYHTFJQLK-UHFFFAOYSA-N
XLogP0.04
TPSA129.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-nitro-1,2,4-triazol-1-yl)methyl]furan-2-carbohydrazide
CID 63577972
3-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl]furan-2-carbohydrazide
CID 103099287
[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
CID 66928816
1-[(2-fluorophenyl)methyl]-4-nitropyrazole
CID 573054
2-nitro-6-[(4-nitropyrazol-1-yl)methyl]benzoic acid
CID 104825592
1-[(2-chloro-5-nitrophenyl)methyl]-4-nitropyrazole
CID 43169178
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-[2-(furan-2-carbonylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084615
3-(piperidin-1-ylmethyl)furan-2-carbohydrazide
CID 63568851
1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
CID 71968332
3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63570865
1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole
CID 75357814

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide (CID 63572603) is 3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide is NNC(=O)c1occc1Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is NZJQVMYHTFJQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O4/c10-12-9(15)8-6(1-2-18-8)4-13-5-7(3-11-13)14(16)17/h1-3,5H,4,10H2,(H,12,15).
What are the key properties of 3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide?
3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 251.20 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63572603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).