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

C10H19N5O2 — CID 2807344

IUPACN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1nn(C)c(NCCCN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H19N5O2/c1-8-9(15(16)17)10(14(4)12-8)11-6-5-7-13(2)3/h11H,5-7H2,1-4H3
InChIKeyIVPXTFLABZAQBY-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.00
Rot. Bonds6

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

N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 2807344) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID2807344
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC NameN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1nn(C)c(NCCCN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H19N5O2/c1-8-9(15(16)17)10(14(4)12-8)11-6-5-7-13(2)3/h11H,5-7H2,1-4H3
InChIKeyIVPXTFLABZAQBY-UHFFFAOYSA-N
XLogP1.00
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine (CID 2807344) is N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine is Cc1nn(C)c(NCCCN(C)C)c1[N+](=O)[O-].
What is the InChIKey of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is IVPXTFLABZAQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-8-9(15(16)17)10(14(4)12-8)11-6-5-7-13(2)3/h11H,5-7H2,1-4H3.
What are the key properties of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 241.29 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 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)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 2807344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).