N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide

C14H18N8O6 — CID 4766336

IUPACN'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide
SMILESCc1nn(CCC(=O)NNC(=O)C(C)n2cc([N+](=O)[O-])cn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H18N8O6/c1-8-13(22(27)28)9(2)19(18-8)5-4-12(23)16-17-14(24)10(3)20-7-11(6-15-20)21(25)26/h6-7,10H,4-5H2,1-3H3,(H,16,23)(H,17,24)
InChIKeySEXRWFZALDQMNV-UHFFFAOYSA-N
MW394.35 g/mol
LogP0.31
Rot. Bonds7

About N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide

N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide (PubChem CID 4766336) has the molecular formula C14H18N8O6 and a molecular weight of 394.35 g/mol. Its IUPAC name is N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide
PubChem CID4766336
Molecular FormulaC14H18N8O6
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC NameN'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide
SMILESCc1nn(CCC(=O)NNC(=O)C(C)n2cc([N+](=O)[O-])cn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H18N8O6/c1-8-13(22(27)28)9(2)19(18-8)5-4-12(23)16-17-14(24)10(3)20-7-11(6-15-20)21(25)26/h6-7,10H,4-5H2,1-3H3,(H,16,23)(H,17,24)
InChIKeySEXRWFZALDQMNV-UHFFFAOYSA-N
XLogP0.31
TPSA180.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 50.31
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-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide?
The IUPAC name of N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide (CID 4766336) is N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide.
What is the SMILES notation for N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide?
The canonical SMILES for N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide is Cc1nn(CCC(=O)NNC(=O)C(C)n2cc([N+](=O)[O-])cn2)c(C)c1[N+](=O)[O-].
What is the InChIKey of N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide?
The InChIKey is SEXRWFZALDQMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O6/c1-8-13(22(27)28)9(2)19(18-8)5-4-12(23)16-17-14(24)10(3)20-7-11(6-15-20)21(25)26/h6-7,10H,4-5H2,1-3H3,(H,16,23)(H,17,24).
What are the key properties of N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide?
N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide has a molecular weight of 394.35 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-2-(4-nitropyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 4766336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).