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

C9H17N5O2 — CID 43554194

IUPACN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1nn(C)c(NCCN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C9H17N5O2/c1-7-8(14(15)16)9(13(4)11-7)10-5-6-12(2)3/h10H,5-6H2,1-4H3
InChIKeyPZUDOCVHRWUYON-UHFFFAOYSA-N
MW227.27 g/mol
LogP0.61
Rot. Bonds5

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

N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 43554194) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID43554194
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC NameN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1nn(C)c(NCCN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C9H17N5O2/c1-7-8(14(15)16)9(13(4)11-7)10-5-6-12(2)3/h10H,5-6H2,1-4H3
InChIKeyPZUDOCVHRWUYON-UHFFFAOYSA-N
XLogP0.61
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.61
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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylethane-1,2-diamine (CID 43554194) is N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylethane-1,2-diamine is Cc1nn(C)c(NCCN(C)C)c1[N+](=O)[O-].
What is the InChIKey of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is PZUDOCVHRWUYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-7-8(14(15)16)9(13(4)11-7)10-5-6-12(2)3/h10H,5-6H2,1-4H3.
What are the key properties of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylethane-1,2-diamine?
N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 227.27 g/mol, XLogP of 0.61, 5 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'-dimethylethane-1,2-diamine is sourced from PubChem (CID 43554194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).