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

C9H15N3O3 — CID 20624450

IUPACtert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1[nH]ncc1CO
InChIInChI=1S/C9H15N3O3/c1-9(2,3)15-8(14)11-7-6(5-13)4-10-12-7/h4,13H,5H2,1-3H3,(H2,10,11,12,14)
InChIKeyLVDOQNTYQXOAJG-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.25
Rot. Bonds2

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

tert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate (PubChem CID 20624450) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is tert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate
PubChem CID20624450
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nametert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1[nH]ncc1CO
InChIInChI=1S/C9H15N3O3/c1-9(2,3)15-8(14)11-7-6(5-13)4-10-12-7/h4,13H,5H2,1-3H3,(H2,10,11,12,14)
InChIKeyLVDOQNTYQXOAJG-UHFFFAOYSA-N
XLogP1.25
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate (CID 20624450) is tert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate is CC(C)(C)OC(=O)Nc1[nH]ncc1CO.
What is the InChIKey of tert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate?
The InChIKey is LVDOQNTYQXOAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-9(2,3)15-8(14)11-7-6(5-13)4-10-12-7/h4,13H,5H2,1-3H3,(H2,10,11,12,14).
What are the key properties of tert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate?
tert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate has a molecular weight of 213.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(hydroxymethyl)-1H-pyrazol-5-yl]carbamate is sourced from PubChem (CID 20624450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).