tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate

C10H17N3O2 — CID 61004500

IUPACtert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate
SMILESCc1[nH]ncc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17N3O2/c1-7-8(6-12-13-7)5-11-9(14)15-10(2,3)4/h6H,5H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyJEYRUMGJGKFQRG-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.74
Rot. Bonds2

About tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate

tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate (PubChem CID 61004500) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate
PubChem CID61004500
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nametert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate
SMILESCc1[nH]ncc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17N3O2/c1-7-8(6-12-13-7)5-11-9(14)15-10(2,3)4/h6H,5H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyJEYRUMGJGKFQRG-UHFFFAOYSA-N
XLogP1.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate (CID 61004500) is tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate is Cc1[nH]ncc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate?
The InChIKey is JEYRUMGJGKFQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-8(6-12-13-7)5-11-9(14)15-10(2,3)4/h6H,5H2,1-4H3,(H,11,14)(H,12,13).
What are the key properties of tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate?
tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate has a molecular weight of 211.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate is sourced from PubChem (CID 61004500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).