3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole

C8H13N3O — CID 2827603

IUPAC3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole
SMILESCc1nn(C(C)C)c(C)c1N=O
InChIInChI=1S/C8H13N3O/c1-5(2)11-7(4)8(10-12)6(3)9-11/h5H,1-4H3
InChIKeyUUECYTLJOJGWJK-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.48
Rot. Bonds2

About 3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole

3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole (PubChem CID 2827603) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole
PubChem CID2827603
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole
SMILESCc1nn(C(C)C)c(C)c1N=O
InChIInChI=1S/C8H13N3O/c1-5(2)11-7(4)8(10-12)6(3)9-11/h5H,1-4H3
InChIKeyUUECYTLJOJGWJK-UHFFFAOYSA-N
XLogP2.48
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole?
The IUPAC name of 3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole (CID 2827603) is 3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole.
What is the SMILES notation for 3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole?
The canonical SMILES for 3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole is Cc1nn(C(C)C)c(C)c1N=O.
What is the InChIKey of 3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole?
The InChIKey is UUECYTLJOJGWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)11-7(4)8(10-12)6(3)9-11/h5H,1-4H3.
What are the key properties of 3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole?
3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole has a molecular weight of 167.21 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-nitroso-1-propan-2-ylpyrazole is sourced from PubChem (CID 2827603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).