(5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate

C10H17N3O2 — CID 8393

IUPAC(5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)n(C(C)C)n1
InChIInChI=1S/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)15-10(14)12(4)5/h6-7H,1-5H3
InChIKeyRNNBHZYEKNHLKT-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.83
Rot. Bonds2

About (5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate

(5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate (PubChem CID 8393) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate
PubChem CID8393
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)n(C(C)C)n1
InChIInChI=1S/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)15-10(14)12(4)5/h6-7H,1-5H3
InChIKeyRNNBHZYEKNHLKT-UHFFFAOYSA-N
XLogP1.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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1-[3-(Fluoromethyl)-5-methoxypyrazol-1-yl]propan-2-one
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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate (CID 8393) is (5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate is Cc1cc(OC(=O)N(C)C)n(C(C)C)n1.
What is the InChIKey of (5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate?
The InChIKey is RNNBHZYEKNHLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)15-10(14)12(4)5/h6-7H,1-5H3.
What are the key properties of (5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate?
(5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate has a molecular weight of 211.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 8393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).