tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate

C13H23N3O3 — CID 166542901

IUPACtert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ccnn1CCO
InChIInChI=1S/C13H23N3O3/c1-12(2,3)19-11(18)15-13(4,5)10-6-7-14-16(10)8-9-17/h6-7,17H,8-9H2,1-5H3,(H,15,18)
InChIKeyWMNRYWPJUVTWFF-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.64
Rot. Bonds4

About tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate

tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate (PubChem CID 166542901) has the molecular formula C13H23N3O3 and a molecular weight of 269.35 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate
PubChem CID166542901
Molecular FormulaC13H23N3O3
Molecular Weight269.35 g/mol
Exact Mass269.17
IUPAC Nametert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ccnn1CCO
InChIInChI=1S/C13H23N3O3/c1-12(2,3)19-11(18)15-13(4,5)10-6-7-14-16(10)8-9-17/h6-7,17H,8-9H2,1-5H3,(H,15,18)
InChIKeyWMNRYWPJUVTWFF-UHFFFAOYSA-N
XLogP1.64
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate
CID 178139555
tert-butyl N-[2-(3-methylimidazol-4-yl)propan-2-yl]carbamate
CID 114703715
tert-butyl N-[(1R)-1-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]carbamate
CID 169107885
tert-butyl N-[2-(2,2-difluoroethyl)pyrazol-3-yl]carbamate
CID 163333219
tert-butyl N-[2-(3-pentylimidazol-4-yl)propan-2-yl]carbamate
CID 114702676
tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate
CID 178139738
tert-butyl N-[2-[3-(2,2-difluoroethyl)imidazol-4-yl]propan-2-yl]carbamate
CID 114706880
tert-butyl 3-(5-methylpyrazol-1-yl)propanoate
CID 116662728
tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium
CID 153379751
tert-butyl N-(3-pyrazol-1-ylpropyl)carbamate
CID 69176267
methyl 4-(5-bromopyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 66988829
tert-butyl N-[2-[[5-bromo-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]ethyl]carbamate
CID 104933135

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate (CID 166542901) is tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)c1ccnn1CCO.
What is the InChIKey of tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate?
The InChIKey is WMNRYWPJUVTWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-12(2,3)19-11(18)15-13(4,5)10-6-7-14-16(10)8-9-17/h6-7,17H,8-9H2,1-5H3,(H,15,18).
What are the key properties of tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate?
tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate has a molecular weight of 269.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate is sourced from PubChem (CID 166542901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).