N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride

C7H14ClN5O2 — CID 18769501

IUPACN'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride
SMILESCc1nn(C)c(NCCN)c1[N+](=O)[O-].Cl
InChIInChI=1S/C7H13N5O2.ClH/c1-5-6(12(13)14)7(9-4-3-8)11(2)10-5;/h9H,3-4,8H2,1-2H3;1H
InChIKeyHJWRARZQOMBIKD-UHFFFAOYSA-N
MW235.67 g/mol
LogP0.43
Rot. Bonds4

About N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride

N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride (PubChem CID 18769501) has the molecular formula C7H14ClN5O2 and a molecular weight of 235.67 g/mol. Its IUPAC name is N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride
PubChem CID18769501
Molecular FormulaC7H14ClN5O2
Molecular Weight235.67 g/mol
Exact Mass235.08
IUPAC NameN'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride
SMILESCc1nn(C)c(NCCN)c1[N+](=O)[O-].Cl
InChIInChI=1S/C7H13N5O2.ClH/c1-5-6(12(13)14)7(9-4-3-8)11(2)10-5;/h9H,3-4,8H2,1-2H3;1H
InChIKeyHJWRARZQOMBIKD-UHFFFAOYSA-N
XLogP0.43
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 43554268
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethyl carbamate
CID 83205028
N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66016680
4-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-2,2-dimethylbutanoic acid
CID 114285534
N-[2-(4-chlorophenyl)ethyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 2807341
(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine
CID 3537257
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N,N-dimethylethanesulfonamide
CID 106339133
N-[2-(2-methoxyethoxy)ethyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 47983891
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-(1-methylpyrazol-3-yl)ethane-1,2-diamine
CID 100710669
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
1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913295

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride (CID 18769501) is N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride is Cc1nn(C)c(NCCN)c1[N+](=O)[O-].Cl.
What is the InChIKey of N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride?
The InChIKey is HJWRARZQOMBIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2.ClH/c1-5-6(12(13)14)7(9-4-3-8)11(2)10-5;/h9H,3-4,8H2,1-2H3;1H.
What are the key properties of N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride?
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride has a molecular weight of 235.67 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 18769501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).