methyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate

C10H17N3O2 — CID 67678454

IUPACmethyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate
SMILESCOC(=O)N(C)c1cc(C)nn1C(C)C
InChIInChI=1S/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)12(4)10(14)15-5/h6-7H,1-5H3
InChIKeyRGCWOSBRCIPWMZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.98
Rot. Bonds2

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

methyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate (PubChem CID 67678454) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate
PubChem CID67678454
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate
SMILESCOC(=O)N(C)c1cc(C)nn1C(C)C
InChIInChI=1S/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)12(4)10(14)15-5/h6-7H,1-5H3
InChIKeyRGCWOSBRCIPWMZ-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate?
The IUPAC name of methyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate (CID 67678454) is methyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate?
The canonical SMILES for methyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate is COC(=O)N(C)c1cc(C)nn1C(C)C.
What is the InChIKey of methyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate?
The InChIKey is RGCWOSBRCIPWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)12(4)10(14)15-5/h6-7H,1-5H3.
What are the key properties of methyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate?
methyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate has a molecular weight of 211.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate is sourced from PubChem (CID 67678454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).