1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide

C11H17N5O4 — CID 19478535

IUPAC1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
SMILESCn1ncc([N+](=O)[O-])c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C11H17N5O4/c1-14-10(9(8-13-14)16(18)19)11(17)12-2-3-15-4-6-20-7-5-15/h8H,2-7H2,1H3,(H,12,17)
InChIKeyFYVAVWDPRZNUHG-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.61
Rot. Bonds5

About 1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide

1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide (PubChem CID 19478535) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
PubChem CID19478535
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
SMILESCn1ncc([N+](=O)[O-])c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C11H17N5O4/c1-14-10(9(8-13-14)16(18)19)11(17)12-2-3-15-4-6-20-7-5-15/h8H,2-7H2,1H3,(H,12,17)
InChIKeyFYVAVWDPRZNUHG-UHFFFAOYSA-N
XLogP-0.61
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.61
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'}

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Related Compounds

1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide
CID 4767952
1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19480855
2,3,4-trifluoro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
CID 110316989
4-amino-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 65357279
N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19516114
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide
CID 19266451
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478486
1-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-nitropyrazole-5-carboxamide
CID 75396020
1-methyl-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19282125
1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide
CID 51616577
N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide
CID 3111269

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide (CID 19478535) is 1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide is Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide?
The InChIKey is FYVAVWDPRZNUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-14-10(9(8-13-14)16(18)19)11(17)12-2-3-15-4-6-20-7-5-15/h8H,2-7H2,1H3,(H,12,17).
What are the key properties of 1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide?
1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide has a molecular weight of 283.29 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 19478535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).