N'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide

C13H16N8O6 — CID 3565184

IUPACN'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide
SMILESCc1cc([N+](=O)[O-])nn1CCC(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C13H16N8O6/c1-9-6-11(21(26)27)17-19(9)5-3-13(23)16-15-12(22)2-4-18-8-10(7-14-18)20(24)25/h6-8H,2-5H2,1H3,(H,15,22)(H,16,23)
InChIKeyDKPXKJSHDNXQKW-UHFFFAOYSA-N
MW380.32 g/mol
LogP-0.17
Rot. Bonds8

About N'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide

N'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide (PubChem CID 3565184) has the molecular formula C13H16N8O6 and a molecular weight of 380.32 g/mol. Its IUPAC name is N'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide
PubChem CID3565184
Molecular FormulaC13H16N8O6
Molecular Weight380.32 g/mol
Exact Mass380.12
IUPAC NameN'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide
SMILESCc1cc([N+](=O)[O-])nn1CCC(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C13H16N8O6/c1-9-6-11(21(26)27)17-19(9)5-3-13(23)16-15-12(22)2-4-18-8-10(7-14-18)20(24)25/h6-8H,2-5H2,1H3,(H,15,22)(H,16,23)
InChIKeyDKPXKJSHDNXQKW-UHFFFAOYSA-N
XLogP-0.17
TPSA180.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide?
The IUPAC name of N'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide (CID 3565184) is N'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide.
What is the SMILES notation for N'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide?
The canonical SMILES for N'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide is Cc1cc([N+](=O)[O-])nn1CCC(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of N'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide?
The InChIKey is DKPXKJSHDNXQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8O6/c1-9-6-11(21(26)27)17-19(9)5-3-13(23)16-15-12(22)2-4-18-8-10(7-14-18)20(24)25/h6-8H,2-5H2,1H3,(H,15,22)(H,16,23).
What are the key properties of N'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide?
N'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide has a molecular weight of 380.32 g/mol, XLogP of -0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]-3-(4-nitropyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 3565184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).