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

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

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

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]carbamate
CID 155286322
[1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazol-5-yl] trifluoromethanesulfonate
CID 146160675
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate
CID 819122
tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 141182923
tert-butyl N-[2-(1-formylpyrazol-3-yl)ethyl]carbamate
CID 91450229
tert-butyl N-[2-[5-(hydroxymethyl)-3-nitropyrazol-1-yl]ethyl]carbamate
CID 154660176
tert-butyl N-[2-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethyl]carbamate
CID 104952049
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
CID 114717278
tert-butyl N-[2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethyl]carbamate
CID 104952037

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).