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

C5H9N5O2 — CID 3537257

IUPAC(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine
SMILESCc1nn(C)c(NN)c1[N+](=O)[O-]
InChIInChI=1S/C5H9N5O2/c1-3-4(10(11)12)5(7-6)9(2)8-3/h7H,6H2,1-2H3
InChIKeyCAORIXXJMUEMIO-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.08
Rot. Bonds2

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

(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine (PubChem CID 3537257) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is (1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine.

Molecular Properties

Compound Name(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine
PubChem CID3537257
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine
SMILESCc1nn(C)c(NN)c1[N+](=O)[O-]
InChIInChI=1S/C5H9N5O2/c1-3-4(10(11)12)5(7-6)9(2)8-3/h7H,6H2,1-2H3
InChIKeyCAORIXXJMUEMIO-UHFFFAOYSA-N
XLogP-0.08
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

1-N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,1-diamine
CID 139771367
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride
CID 18769501
1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine
CID 79107523
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutanamide
CID 106346089
1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine
CID 103967180
1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine
CID 62381165
N-but-3-yn-2-yl-1,3-dimethyl-4-nitropyrazol-5-amine
CID 114382971
3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 43554268
trans-(1R,2R)-2-N-(1,3-dimethyl-4-nitropyrazol-5-yl)cyclohexane-1,2-diamine
CID 93453939
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethyl carbamate
CID 83205028
1-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutan-2-ol
CID 115644085
1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine
CID 103724978

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine?
The IUPAC name of (1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine (CID 3537257) is (1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine.
What is the SMILES notation for (1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine?
The canonical SMILES for (1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine is Cc1nn(C)c(NN)c1[N+](=O)[O-].
What is the InChIKey of (1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine?
The InChIKey is CAORIXXJMUEMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-3-4(10(11)12)5(7-6)9(2)8-3/h7H,6H2,1-2H3.
What are the key properties of (1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine?
(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine has a molecular weight of 171.16 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine is sourced from PubChem (CID 3537257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).