1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine

C8H14N4O — CID 163831679

IUPAC1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine
SMILESCC(C)(C)Cn1ncc(N=O)c1N
InChIInChI=1S/C8H14N4O/c1-8(2,3)5-12-7(9)6(11-13)4-10-12/h4H,5,9H2,1-3H3
InChIKeyOEDMVITWULTANB-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.91
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine

1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine (PubChem CID 163831679) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine
PubChem CID163831679
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine
SMILESCC(C)(C)Cn1ncc(N=O)c1N
InChIInChI=1S/C8H14N4O/c1-8(2,3)5-12-7(9)6(11-13)4-10-12/h4H,5,9H2,1-3H3
InChIKeyOEDMVITWULTANB-UHFFFAOYSA-N
XLogP1.91
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine (CID 163831679) is 1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine is CC(C)(C)Cn1ncc(N=O)c1N.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine?
The InChIKey is OEDMVITWULTANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,3)5-12-7(9)6(11-13)4-10-12/h4H,5,9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine?
1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine has a molecular weight of 182.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-nitrosopyrazol-5-amine is sourced from PubChem (CID 163831679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).