tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate

C16H28N4O3 — CID 107251850

IUPACtert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NCc1cnn(CCO)c1)C1CC1
InChIInChI=1S/C16H28N4O3/c1-16(2,3)23-15(22)18-10-14(13-4-5-13)17-8-12-9-19-20(11-12)6-7-21/h9,11,13-14,17,21H,4-8,10H2,1-3H3,(H,18,22)
InChIKeyZBLDDWLHXJICSG-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.27
Rot. Bonds8

About tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate

tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate (PubChem CID 107251850) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate
PubChem CID107251850
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NCc1cnn(CCO)c1)C1CC1
InChIInChI=1S/C16H28N4O3/c1-16(2,3)23-15(22)18-10-14(13-4-5-13)17-8-12-9-19-20(11-12)6-7-21/h9,11,13-14,17,21H,4-8,10H2,1-3H3,(H,18,22)
InChIKeyZBLDDWLHXJICSG-UHFFFAOYSA-N
XLogP1.27
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl N-[2-[(3-bromo-4-chlorophenyl)methylamino]-2-cyclopropylethyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate (CID 107251850) is tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(NCc1cnn(CCO)c1)C1CC1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate?
The InChIKey is ZBLDDWLHXJICSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-16(2,3)23-15(22)18-10-14(13-4-5-13)17-8-12-9-19-20(11-12)6-7-21/h9,11,13-14,17,21H,4-8,10H2,1-3H3,(H,18,22).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate has a molecular weight of 324.43 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopropyl-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate is sourced from PubChem (CID 107251850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).