methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate

C11H12N6O5 — CID 19341551

IUPACmethyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C11H12N6O5/c1-15-5-7(10(14-15)11(19)22-2)12-9(18)6-16-4-3-8(13-16)17(20)21/h3-5H,6H2,1-2H3,(H,12,18)
InChIKeyVSGNGAMTPSKVLD-UHFFFAOYSA-N
MW308.25 g/mol
LogP-0.05
Rot. Bonds5

About methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate

methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate (PubChem CID 19341551) has the molecular formula C11H12N6O5 and a molecular weight of 308.25 g/mol. Its IUPAC name is methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
PubChem CID19341551
Molecular FormulaC11H12N6O5
Molecular Weight308.25 g/mol
Exact Mass308.09
IUPAC Namemethyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C11H12N6O5/c1-15-5-7(10(14-15)11(19)22-2)12-9(18)6-16-4-3-8(13-16)17(20)21/h3-5H,6H2,1-2H3,(H,12,18)
InChIKeyVSGNGAMTPSKVLD-UHFFFAOYSA-N
XLogP-0.05
TPSA134.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

N-(2-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 47239868
N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521736
N-(2,6-dimethylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521512
N-(4-methyl-2-propoxyphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 87027283
N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 557433
methyl 1-methyl-4-[(2-nitrobenzoyl)amino]pyrazole-3-carboxylate
CID 19341428
methyl 1-ethyl-4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
CID 19516093
2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 87025087
N-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 62359969
methyl 3-chloro-6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 19521694
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521755
1-ethyl-N-methyl-4-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19566036

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate (CID 19341551) is methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate is COC(=O)c1nn(C)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate?
The InChIKey is VSGNGAMTPSKVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O5/c1-15-5-7(10(14-15)11(19)22-2)12-9(18)6-16-4-3-8(13-16)17(20)21/h3-5H,6H2,1-2H3,(H,12,18).
What are the key properties of methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate?
methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate has a molecular weight of 308.25 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate is sourced from PubChem (CID 19341551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).