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

C13H25N5O2 — CID 43554205

IUPACN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCc1nn(C)c(NCCN(C(C)C)C(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C13H25N5O2/c1-9(2)17(10(3)4)8-7-14-13-12(18(19)20)11(5)15-16(13)6/h9-10,14H,7-8H2,1-6H3
InChIKeyKCZVMKADHRZEGE-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.17
Rot. Bonds7

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

N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43554205) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43554205
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC NameN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCc1nn(C)c(NCCN(C(C)C)C(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C13H25N5O2/c1-9(2)17(10(3)4)8-7-14-13-12(18(19)20)11(5)15-16(13)6/h9-10,14H,7-8H2,1-6H3
InChIKeyKCZVMKADHRZEGE-UHFFFAOYSA-N
XLogP2.17
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.17
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'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43554205) is N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is Cc1nn(C)c(NCCN(C(C)C)C(C)C)c1[N+](=O)[O-].
What is the InChIKey of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is KCZVMKADHRZEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-9(2)17(10(3)4)8-7-14-13-12(18(19)20)11(5)15-16(13)6/h9-10,14H,7-8H2,1-6H3.
What are the key properties of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 283.38 g/mol, XLogP of 2.17, 7 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'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43554205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).