3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide

C11H14N6O4 — CID 19515329

IUPAC3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)N(C)Cc2ccnn2C)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O4/c1-15(6-7-4-5-12-16(7)2)11(18)8-9(17(19)20)10(21-3)14-13-8/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeySBQOSIJHHMIGGW-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.33
Rot. Bonds5

About 3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide

3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 19515329) has the molecular formula C11H14N6O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID19515329
Molecular FormulaC11H14N6O4
Molecular Weight294.27 g/mol
Exact Mass294.11
IUPAC Name3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)N(C)Cc2ccnn2C)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O4/c1-15(6-7-4-5-12-16(7)2)11(18)8-9(17(19)20)10(21-3)14-13-8/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeySBQOSIJHHMIGGW-UHFFFAOYSA-N
XLogP0.33
TPSA119.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-N-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 19515316
3-methoxy-N-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515315
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 19458164
2-(3-methoxy-4-nitropyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19535952
4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515350
3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458189
N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 4865546
2,4-dichloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19581466
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19531250
(3-methoxy-4-nitro-1H-pyrazol-5-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19514836
(3-methoxy-4-nitro-1H-pyrazol-5-yl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19514841

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide (CID 19515329) is 3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide is COc1n[nH]c(C(=O)N(C)Cc2ccnn2C)c1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is SBQOSIJHHMIGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O4/c1-15(6-7-4-5-12-16(7)2)11(18)8-9(17(19)20)10(21-3)14-13-8/h4-5H,6H2,1-3H3,(H,13,14).
What are the key properties of 3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide?
3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 294.27 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19515329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).