1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol

C13H20N6O3 — CID 157067849

IUPAC1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol
SMILESCO.Nc1ccn(C2CC2)n1.O=[N+]([O-])c1ccn(C2CC2)n1
InChIInChI=1S/C6H7N3O2.C6H9N3.CH4O/c10-9(11)6-3-4-8(7-6)5-1-2-5;7-6-3-4-9(8-6)5-1-2-5;1-2/h3-5H,1-2H2;3-5H,1-2H2,(H2,7,8);2H,1H3
InChIKeyACBWFUNOSOUTDJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.53
Rot. Bonds3

About 1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol

1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol (PubChem CID 157067849) has the molecular formula C13H20N6O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol.

Molecular Properties

Compound Name1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol
PubChem CID157067849
Molecular FormulaC13H20N6O3
Molecular Weight308.34 g/mol
Exact Mass308.16
IUPAC Name1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol
SMILESCO.Nc1ccn(C2CC2)n1.O=[N+]([O-])c1ccn(C2CC2)n1
InChIInChI=1S/C6H7N3O2.C6H9N3.CH4O/c10-9(11)6-3-4-8(7-6)5-1-2-5;7-6-3-4-9(8-6)5-1-2-5;1-2/h3-5H,1-2H2;3-5H,1-2H2,(H2,7,8);2H,1H3
InChIKeyACBWFUNOSOUTDJ-UHFFFAOYSA-N
XLogP1.53
TPSA125.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol?
The IUPAC name of 1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol (CID 157067849) is 1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol.
What is the SMILES notation for 1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol?
The canonical SMILES for 1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol is CO.Nc1ccn(C2CC2)n1.O=[N+]([O-])c1ccn(C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol?
The InChIKey is ACBWFUNOSOUTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2.C6H9N3.CH4O/c10-9(11)6-3-4-8(7-6)5-1-2-5;7-6-3-4-9(8-6)5-1-2-5;1-2/h3-5H,1-2H2;3-5H,1-2H2,(H2,7,8);2H,1H3.
What are the key properties of 1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol?
1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol has a molecular weight of 308.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol is sourced from PubChem (CID 157067849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).