tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate

C10H17N3O3 — CID 171803882

IUPACtert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate
SMILESCn1cc(NC(=O)OC(C)(C)C)c(CO)n1
InChIInChI=1S/C10H17N3O3/c1-10(2,3)16-9(15)11-7-5-13(4)12-8(7)6-14/h5,14H,6H2,1-4H3,(H,11,15)
InChIKeyYGJIJJFHSGAQQW-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.26
Rot. Bonds2

About tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate

tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate (PubChem CID 171803882) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate
PubChem CID171803882
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Nametert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate
SMILESCn1cc(NC(=O)OC(C)(C)C)c(CO)n1
InChIInChI=1S/C10H17N3O3/c1-10(2,3)16-9(15)11-7-5-13(4)12-8(7)6-14/h5,14H,6H2,1-4H3,(H,11,15)
InChIKeyYGJIJJFHSGAQQW-UHFFFAOYSA-N
XLogP1.26
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate (CID 171803882) is tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate is Cn1cc(NC(=O)OC(C)(C)C)c(CO)n1.
What is the InChIKey of tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate?
The InChIKey is YGJIJJFHSGAQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(2,3)16-9(15)11-7-5-13(4)12-8(7)6-14/h5,14H,6H2,1-4H3,(H,11,15).
What are the key properties of tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate?
tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate has a molecular weight of 227.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate is sourced from PubChem (CID 171803882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).