(1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone

C10H12N2O2 — CID 130763997

IUPAC(1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone
SMILESCn1cc(C(=O)C2C3COCC32)cn1
InChIInChI=1S/C10H12N2O2/c1-12-3-6(2-11-12)10(13)9-7-4-14-5-8(7)9/h2-3,7-9H,4-5H2,1H3
InChIKeyURAGYMDWTDRXIV-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.50
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone

(1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone (PubChem CID 130763997) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone
PubChem CID130763997
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone
SMILESCn1cc(C(=O)C2C3COCC32)cn1
InChIInChI=1S/C10H12N2O2/c1-12-3-6(2-11-12)10(13)9-7-4-14-5-8(7)9/h2-3,7-9H,4-5H2,1H3
InChIKeyURAGYMDWTDRXIV-UHFFFAOYSA-N
XLogP0.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone (CID 130763997) is (1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone is Cn1cc(C(=O)C2C3COCC32)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone?
The InChIKey is URAGYMDWTDRXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-12-3-6(2-11-12)10(13)9-7-4-14-5-8(7)9/h2-3,7-9H,4-5H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone?
(1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone has a molecular weight of 192.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone is sourced from PubChem (CID 130763997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).