1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide

C13H21N5O4 — CID 19266451

IUPAC1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide
SMILESCc1c([N+](=O)[O-])c(C(=O)NCCCN2CCOCC2)nn1C
InChIInChI=1S/C13H21N5O4/c1-10-12(18(20)21)11(15-16(10)2)13(19)14-4-3-5-17-6-8-22-9-7-17/h3-9H2,1-2H3,(H,14,19)
InChIKeyIHTTXDVOACGPLW-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.09
Rot. Bonds6

About 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide

1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide (PubChem CID 19266451) has the molecular formula C13H21N5O4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide
PubChem CID19266451
Molecular FormulaC13H21N5O4
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide
SMILESCc1c([N+](=O)[O-])c(C(=O)NCCCN2CCOCC2)nn1C
InChIInChI=1S/C13H21N5O4/c1-10-12(18(20)21)11(15-16(10)2)13(19)14-4-3-5-17-6-8-22-9-7-17/h3-9H2,1-2H3,(H,14,19)
InChIKeyIHTTXDVOACGPLW-UHFFFAOYSA-N
XLogP0.09
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-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

4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19266741
N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266489
1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19480855
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266535
1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585530
1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624113
1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19478535
1-(1-adamantyl)-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide
CID 19265874
2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 19530085
2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
CID 110467560
N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide
CID 3111269
2,4,5-trimethyl-N-(3-morpholin-4-ylpropyl)furan-3-carboxamide
CID 47136432

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide (CID 19266451) is 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide is Cc1c([N+](=O)[O-])c(C(=O)NCCCN2CCOCC2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide?
The InChIKey is IHTTXDVOACGPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O4/c1-10-12(18(20)21)11(15-16(10)2)13(19)14-4-3-5-17-6-8-22-9-7-17/h3-9H2,1-2H3,(H,14,19).
What are the key properties of 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide?
1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 19266451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).