1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine

C8H15N5O2 — CID 122604140

IUPAC1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine
SMILESCC(Cn1cc([N+](=O)[O-])c(N)n1)N(C)C
InChIInChI=1S/C8H15N5O2/c1-6(11(2)3)4-12-5-7(13(14)15)8(9)10-12/h5-6H,4H2,1-3H3,(H2,9,10)
InChIKeyQXJIJDJFRSGGSS-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.32
Rot. Bonds4

About 1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine

1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine (PubChem CID 122604140) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine
PubChem CID122604140
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine
SMILESCC(Cn1cc([N+](=O)[O-])c(N)n1)N(C)C
InChIInChI=1S/C8H15N5O2/c1-6(11(2)3)4-12-5-7(13(14)15)8(9)10-12/h5-6H,4H2,1-3H3,(H2,9,10)
InChIKeyQXJIJDJFRSGGSS-UHFFFAOYSA-N
XLogP0.32
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.32
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 1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine?
The IUPAC name of 1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine (CID 122604140) is 1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine.
What is the SMILES notation for 1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine?
The canonical SMILES for 1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine is CC(Cn1cc([N+](=O)[O-])c(N)n1)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine?
The InChIKey is QXJIJDJFRSGGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-6(11(2)3)4-12-5-7(13(14)15)8(9)10-12/h5-6H,4H2,1-3H3,(H2,9,10).
What are the key properties of 1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine?
1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine has a molecular weight of 213.24 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)propyl]-4-nitropyrazol-3-amine is sourced from PubChem (CID 122604140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).