3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole

C8H13N3O2 — CID 54220957

IUPAC3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole
SMILESCOc1ccn(C(C)(C)CN=O)n1
InChIInChI=1S/C8H13N3O2/c1-8(2,6-9-12)11-5-4-7(10-11)13-3/h4-5H,6H2,1-3H3
InChIKeyQCOBTVLYILVBAC-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.39
Rot. Bonds4

About 3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole

3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole (PubChem CID 54220957) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole.

Molecular Properties

Compound Name3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole
PubChem CID54220957
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole
SMILESCOc1ccn(C(C)(C)CN=O)n1
InChIInChI=1S/C8H13N3O2/c1-8(2,6-9-12)11-5-4-7(10-11)13-3/h4-5H,6H2,1-3H3
InChIKeyQCOBTVLYILVBAC-UHFFFAOYSA-N
XLogP1.39
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole?
The IUPAC name of 3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole (CID 54220957) is 3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole.
What is the SMILES notation for 3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole?
The canonical SMILES for 3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole is COc1ccn(C(C)(C)CN=O)n1.
What is the InChIKey of 3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole?
The InChIKey is QCOBTVLYILVBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,6-9-12)11-5-4-7(10-11)13-3/h4-5H,6H2,1-3H3.
What are the key properties of 3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole?
3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole has a molecular weight of 183.21 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methyl-1-nitrosopropan-2-yl)pyrazole is sourced from PubChem (CID 54220957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).