1H-pyrazol-5-yl N,N-dimethylcarbamate

C6H9N3O2 — CID 23465088

IUPAC1H-pyrazol-5-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccn[nH]1
InChIInChI=1S/C6H9N3O2/c1-9(2)6(10)11-5-3-4-7-8-5/h3-4H,1-2H3,(H,7,8)
InChIKeyKPMWGZHOBQEOLE-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.47
Rot. Bonds1

About 1H-pyrazol-5-yl N,N-dimethylcarbamate

1H-pyrazol-5-yl N,N-dimethylcarbamate (PubChem CID 23465088) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 1H-pyrazol-5-yl N,N-dimethylcarbamate.

Molecular Properties

Compound Name1H-pyrazol-5-yl N,N-dimethylcarbamate
PubChem CID23465088
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name1H-pyrazol-5-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccn[nH]1
InChIInChI=1S/C6H9N3O2/c1-9(2)6(10)11-5-3-4-7-8-5/h3-4H,1-2H3,(H,7,8)
InChIKeyKPMWGZHOBQEOLE-UHFFFAOYSA-N
XLogP0.47
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl N,N-dimethylcarbamate?
The IUPAC name of 1H-pyrazol-5-yl N,N-dimethylcarbamate (CID 23465088) is 1H-pyrazol-5-yl N,N-dimethylcarbamate.
What is the SMILES notation for 1H-pyrazol-5-yl N,N-dimethylcarbamate?
The canonical SMILES for 1H-pyrazol-5-yl N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccn[nH]1.
What is the InChIKey of 1H-pyrazol-5-yl N,N-dimethylcarbamate?
The InChIKey is KPMWGZHOBQEOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-9(2)6(10)11-5-3-4-7-8-5/h3-4H,1-2H3,(H,7,8).
What are the key properties of 1H-pyrazol-5-yl N,N-dimethylcarbamate?
1H-pyrazol-5-yl N,N-dimethylcarbamate has a molecular weight of 155.16 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl N,N-dimethylcarbamate is sourced from PubChem (CID 23465088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).