[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate

C20H32N8O6 — CID 18785286

IUPAC[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C.Cc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C
InChIInChI=1S/2C10H16N4O3/c2*1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h2*6H,1-5H3
InChIKeyOPZZVOICTMKWQB-UHFFFAOYSA-N
MW480.53 g/mol
LogP1.56
Rot. Bonds2

About [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate

[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate (PubChem CID 18785286) has the molecular formula C20H32N8O6 and a molecular weight of 480.53 g/mol. Its IUPAC name is [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate
PubChem CID18785286
Molecular FormulaC20H32N8O6
Molecular Weight480.53 g/mol
Exact Mass480.24
IUPAC Name[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C.Cc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C
InChIInChI=1S/2C10H16N4O3/c2*1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h2*6H,1-5H3
InChIKeyOPZZVOICTMKWQB-UHFFFAOYSA-N
XLogP1.56
TPSA135.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate?
The IUPAC name of [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate (CID 18785286) is [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate?
The canonical SMILES for [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate is Cc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C.Cc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C.
What is the InChIKey of [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate?
The InChIKey is OPZZVOICTMKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16N4O3/c2*1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h2*6H,1-5H3.
What are the key properties of [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate?
[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate has a molecular weight of 480.53 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 18785286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).