3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide

C11H18N4O5 — CID 19511156

IUPAC3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)NCCCOC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O5/c1-7(2)20-6-4-5-12-10(16)8-9(15(17)18)11(19-3)14-13-8/h7H,4-6H2,1-3H3,(H,12,16)(H,13,14)
InChIKeyFDHYWGFZEZZTSF-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.87
Rot. Bonds8

About 3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide

3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide (PubChem CID 19511156) has the molecular formula C11H18N4O5 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
PubChem CID19511156
Molecular FormulaC11H18N4O5
Molecular Weight286.29 g/mol
Exact Mass286.13
IUPAC Name3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)NCCCOC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O5/c1-7(2)20-6-4-5-12-10(16)8-9(15(17)18)11(19-3)14-13-8/h7H,4-6H2,1-3H3,(H,12,16)(H,13,14)
InChIKeyFDHYWGFZEZZTSF-UHFFFAOYSA-N
XLogP0.87
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-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

3-methoxy-4-nitro-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19510916
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511046
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511054
1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19511123
3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19511053
N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19510884
2,5-dimethoxy-1-N,4-N-bis(3-methoxypropyl)-3,6-dinitrobenzene-1,4-dicarboxamide
CID 11004999
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 27681722
3-methoxy-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19511174
3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510890
3-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19511058
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511164

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide (CID 19511156) is 3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide is COc1n[nH]c(C(=O)NCCCOC(C)C)c1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FDHYWGFZEZZTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5/c1-7(2)20-6-4-5-12-10(16)8-9(15(17)18)11(19-3)14-13-8/h7H,4-6H2,1-3H3,(H,12,16)(H,13,14).
What are the key properties of 3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide?
3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19511156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).