N-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide

C15H26N4O3 — CID 23275950

IUPACN-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
SMILESCCCCCCCCCCNC(=O)c1n[nH]c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H26N4O3/c1-3-4-5-6-7-8-9-10-11-16-15(20)13-14(19(21)22)12(2)17-18-13/h3-11H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyXUGKRCOEYLBYSJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.50
Rot. Bonds11

About N-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide

N-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide (PubChem CID 23275950) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
PubChem CID23275950
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
SMILESCCCCCCCCCCNC(=O)c1n[nH]c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H26N4O3/c1-3-4-5-6-7-8-9-10-11-16-15(20)13-14(19(21)22)12(2)17-18-13/h3-11H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyXUGKRCOEYLBYSJ-UHFFFAOYSA-N
XLogP3.50
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-decyl-5-methyl-4-nitro-1H-pyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide (CID 23275950) is N-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide is CCCCCCCCCCNC(=O)c1n[nH]c(C)c1[N+](=O)[O-].
What is the InChIKey of N-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is XUGKRCOEYLBYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-3-4-5-6-7-8-9-10-11-16-15(20)13-14(19(21)22)12(2)17-18-13/h3-11H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide?
N-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 23275950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).