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

C10H16N4O3 — CID 12572

IUPAC[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C
InChIInChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,1-5H3
InChIKeyRDBIYWSVMRVKSG-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.78
Rot. Bonds1

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

[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate (PubChem CID 12572) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 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 CID12572
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C
InChIInChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,1-5H3
InChIKeyRDBIYWSVMRVKSG-UHFFFAOYSA-N
XLogP0.78
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Isolan
CID 8393
Carbamic acid, dimethyl-, 2-ethyl-5-methyl-3-pyrazolyl ester
CID 54031
N-hexyl-3-methoxy-5-methylpyrazole-1-carboxamide
CID 132597457
N-hexyl-5-methoxy-3-methylpyrazole-1-carboxamide
CID 134846788
1-(Dimethylcarbamoyl)-3-methyl-1h-pyrazol-5-yl dimethylcarbamate
CID 89153
[1-(dimethylcarbamoyl)-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
CID 13241346
[1-(dimethylcarbamoyl)-3-(methylsulfinylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
CID 13241347
[1-(dimethylcarbamoyl)-3-(methylsulfonylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
CID 13241348
[1-carbamoyl-3-(methylsulfanylmethyl)pyrazol-5-yl] N,N-dimethylcarbamate
CID 13241349
1,3-Dimethyl-1H-pyrazol-5-yl dimethylcarbamate
CID 14551344
dimethylcarbamic acid;[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate
CID 17887941
CID 18785286
CID 18785286

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 12572) 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.
What is the InChIKey of [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate?
The InChIKey is RDBIYWSVMRVKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,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 240.26 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 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 12572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).