1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine

C10H19N5O2 — CID 54913295

IUPAC1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCc1nn(C)c(NCC(C)N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H19N5O2/c1-7(13(3)4)6-11-10-9(15(16)17)8(2)12-14(10)5/h7,11H,6H2,1-5H3
InChIKeyBRNZCKRVVYYRFX-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.00
Rot. Bonds5

About 1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine

1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 54913295) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID54913295
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCc1nn(C)c(NCC(C)N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H19N5O2/c1-7(13(3)4)6-11-10-9(15(16)17)8(2)12-14(10)5/h7,11H,6H2,1-5H3
InChIKeyBRNZCKRVVYYRFX-UHFFFAOYSA-N
XLogP1.00
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
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

1-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-methylbutan-2-ol
CID 115644085
1,3-dimethyl-N-[(2R)-2-morpholin-4-ylpropyl]-4-nitropyrazol-5-amine
CID 94190299
1,3-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyrazol-5-amine
CID 62992662
5-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-4-methylpentanoic acid
CID 82017057
3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine
CID 66013105
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N,N-dimethylethanesulfonamide
CID 106339133
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride
CID 18769501
1,3-dimethyl-N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-4-nitropyrazol-5-amine
CID 96527248
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-nitro-1-propylpyrazol-5-amine
CID 102914171
N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66029159
1-N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,1-diamine
CID 139771367
3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 43554268

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine (CID 54913295) is 1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine is Cc1nn(C)c(NCC(C)N(C)C)c1[N+](=O)[O-].
What is the InChIKey of 1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is BRNZCKRVVYYRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-7(13(3)4)6-11-10-9(15(16)17)8(2)12-14(10)5/h7,11H,6H2,1-5H3.
What are the key properties of 1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 241.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 54913295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).