5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide

C10H17N5O3 — CID 63577216

IUPAC5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide
SMILESCc1nn(CCCCC(=O)NN)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H17N5O3/c1-7-10(15(17)18)8(2)14(13-7)6-4-3-5-9(16)12-11/h3-6,11H2,1-2H3,(H,12,16)
InChIKeyXEYUYCWCRZABBM-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.57
Rot. Bonds6

About 5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide

5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide (PubChem CID 63577216) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide
PubChem CID63577216
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide
SMILESCc1nn(CCCCC(=O)NN)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H17N5O3/c1-7-10(15(17)18)8(2)14(13-7)6-4-3-5-9(16)12-11/h3-6,11H2,1-2H3,(H,12,16)
InChIKeyXEYUYCWCRZABBM-UHFFFAOYSA-N
XLogP0.57
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid
CID 4137846
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide
CID 19557948
6-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]hexanoic acid
CID 119220044
4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-ethylphenyl)butanamide
CID 4988275
4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-naphthalen-1-ylbutanamide
CID 46506016
N-(2-acetylphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide
CID 4988281
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557958
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 19557901
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 19515769
2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
CID 19618209
2-[2-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119242165
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide
CID 154755562

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide?
The IUPAC name of 5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide (CID 63577216) is 5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide?
The canonical SMILES for 5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide is Cc1nn(CCCCC(=O)NN)c(C)c1[N+](=O)[O-].
What is the InChIKey of 5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide?
The InChIKey is XEYUYCWCRZABBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-7-10(15(17)18)8(2)14(13-7)6-4-3-5-9(16)12-11/h3-6,11H2,1-2H3,(H,12,16).
What are the key properties of 5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide?
5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide has a molecular weight of 255.28 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide is sourced from PubChem (CID 63577216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).