2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide

C11H11BrN4O4 — CID 749070

IUPAC2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1ccco1
InChIInChI=1S/C11H11BrN4O4/c1-7-10(12)11(16(18)19)14-15(7)6-9(17)13-5-8-3-2-4-20-8/h2-4H,5-6H2,1H3,(H,13,17)
InChIKeyFVISPXSECSDPKC-UHFFFAOYSA-N
MW343.14 g/mol
LogP1.77
Rot. Bonds5

About 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide

2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 749070) has the molecular formula C11H11BrN4O4 and a molecular weight of 343.14 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID749070
Molecular FormulaC11H11BrN4O4
Molecular Weight343.14 g/mol
Exact Mass342.00
IUPAC Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1ccco1
InChIInChI=1S/C11H11BrN4O4/c1-7-10(12)11(16(18)19)14-15(7)6-9(17)13-5-8-3-2-4-20-8/h2-4H,5-6H2,1H3,(H,13,17)
InChIKeyFVISPXSECSDPKC-UHFFFAOYSA-N
XLogP1.77
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 1100801
2-(3,5-dimethyl-4-nitropyrazolyl)-N-(2-furylmethyl)acetamide
CID 824605
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-furylmethyl)propanamide
CID 2983815
4-bromo-1-ethyl-N-(2-furylmethyl)-1H-pyrazole-3-carboxamide
CID 753334
2-(4-Chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-furan-2-ylmethyl-acetamide
CID 796217
N-Furan-2-ylmethyl-2-(5-methyl-3-nitro-pyrazol-1-yl)-acetamide
CID 824595
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-furylmethyl)propanamide
CID 2984161
N-(2-furylmethyl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 1258213
N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279647
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide
CID 757110
N-(2-furylmethyl)-4-(5-methyl-3-nitropyrazolyl)butanamide
CID 4054207
4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268242

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide (CID 749070) is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide is Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1ccco1.
What is the InChIKey of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FVISPXSECSDPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O4/c1-7-10(12)11(16(18)19)14-15(7)6-9(17)13-5-8-3-2-4-20-8/h2-4H,5-6H2,1H3,(H,13,17).
What are the key properties of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide?
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 343.14 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 749070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).