tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate

C13H23N3O3 — CID 175661258

IUPACtert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate
SMILESCn1nc(CCNC(=O)OC(C)(C)C)cc1CCO
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)14-7-5-10-9-11(6-8-17)16(4)15-10/h9,17H,5-8H2,1-4H3,(H,14,18)
InChIKeyFKBZBRQAKVMRFX-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.02
Rot. Bonds5

About tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate

tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate (PubChem CID 175661258) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate
PubChem CID175661258
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate
SMILESCn1nc(CCNC(=O)OC(C)(C)C)cc1CCO
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)14-7-5-10-9-11(6-8-17)16(4)15-10/h9,17H,5-8H2,1-4H3,(H,14,18)
InChIKeyFKBZBRQAKVMRFX-UHFFFAOYSA-N
XLogP1.02
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate (CID 175661258) is tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate is Cn1nc(CCNC(=O)OC(C)(C)C)cc1CCO.
What is the InChIKey of tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate?
The InChIKey is FKBZBRQAKVMRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)14-7-5-10-9-11(6-8-17)16(4)15-10/h9,17H,5-8H2,1-4H3,(H,14,18).
What are the key properties of tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate?
tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate has a molecular weight of 269.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate is sourced from PubChem (CID 175661258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).