(2,5-dimethylpyrazol-3-yl) carbamate

C6H9N3O2 — CID 174545220

IUPAC(2,5-dimethylpyrazol-3-yl) carbamate
SMILESCc1cc(OC(N)=O)n(C)n1
InChIInChI=1S/C6H9N3O2/c1-4-3-5(9(2)8-4)11-6(7)10/h3H,1-2H3,(H2,7,10)
InChIKeyCLJGGGVBIUZXAS-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.19
Rot. Bonds1

About (2,5-dimethylpyrazol-3-yl) carbamate

(2,5-dimethylpyrazol-3-yl) carbamate (PubChem CID 174545220) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl) carbamate.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl) carbamate
PubChem CID174545220
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(2,5-dimethylpyrazol-3-yl) carbamate
SMILESCc1cc(OC(N)=O)n(C)n1
InChIInChI=1S/C6H9N3O2/c1-4-3-5(9(2)8-4)11-6(7)10/h3H,1-2H3,(H2,7,10)
InChIKeyCLJGGGVBIUZXAS-UHFFFAOYSA-N
XLogP0.19
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl) carbamate?
The IUPAC name of (2,5-dimethylpyrazol-3-yl) carbamate (CID 174545220) is (2,5-dimethylpyrazol-3-yl) carbamate.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl) carbamate?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl) carbamate is Cc1cc(OC(N)=O)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl) carbamate?
The InChIKey is CLJGGGVBIUZXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4-3-5(9(2)8-4)11-6(7)10/h3H,1-2H3,(H2,7,10).
What are the key properties of (2,5-dimethylpyrazol-3-yl) carbamate?
(2,5-dimethylpyrazol-3-yl) carbamate has a molecular weight of 155.16 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl) carbamate is sourced from PubChem (CID 174545220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).