[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate

C8H12N4O3 — CID 21279474

IUPAC[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate
SMILESCc1cc(OC(N)=O)nn1C(=O)N(C)C
InChIInChI=1S/C8H12N4O3/c1-5-4-6(15-7(9)13)10-12(5)8(14)11(2)3/h4H,1-3H3,(H2,9,13)
InChIKeyDMSSYXPBWVDROU-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.18
Rot. Bonds1

About [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate

[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate (PubChem CID 21279474) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate.

Molecular Properties

Compound Name[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate
PubChem CID21279474
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate
SMILESCc1cc(OC(N)=O)nn1C(=O)N(C)C
InChIInChI=1S/C8H12N4O3/c1-5-4-6(15-7(9)13)10-12(5)8(14)11(2)3/h4H,1-3H3,(H2,9,13)
InChIKeyDMSSYXPBWVDROU-UHFFFAOYSA-N
XLogP0.18
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dimetilan
CID 12572
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

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate?
The IUPAC name of [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate (CID 21279474) is [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate.
What is the SMILES notation for [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate?
The canonical SMILES for [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate is Cc1cc(OC(N)=O)nn1C(=O)N(C)C.
What is the InChIKey of [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate?
The InChIKey is DMSSYXPBWVDROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-5-4-6(15-7(9)13)10-12(5)8(14)11(2)3/h4H,1-3H3,(H2,9,13).
What are the key properties of [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate?
[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate has a molecular weight of 212.21 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] carbamate is sourced from PubChem (CID 21279474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).