tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate

C19H27N3O2 — CID 68603052

IUPACtert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate
SMILESCc1nn(C)c(C)c1-c1cccc(CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H27N3O2/c1-13-17(14(2)22(6)21-13)16-9-7-8-15(12-16)10-11-20-18(23)24-19(3,4)5/h7-9,12H,10-11H2,1-6H3,(H,20,23)
InChIKeyNUCAXJBJZKPYOA-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.77
Rot. Bonds4

About tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate

tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate (PubChem CID 68603052) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate
PubChem CID68603052
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Nametert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate
SMILESCc1nn(C)c(C)c1-c1cccc(CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H27N3O2/c1-13-17(14(2)22(6)21-13)16-9-7-8-15(12-16)10-11-20-18(23)24-19(3,4)5/h7-9,12H,10-11H2,1-6H3,(H,20,23)
InChIKeyNUCAXJBJZKPYOA-UHFFFAOYSA-N
XLogP3.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]carbamate
CID 146267007
tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate
CID 59316412
N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 54910186
tert-butyl N-[2-[3-(2-methyl-3-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]ethyl]carbamate
CID 165398915
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CID 89115760
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
N-propyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 24968832
tert-butyl N-[3-[3-[9-ethyl-6-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbazol-3-yl]phenyl]propyl]carbamate
CID 59268479
ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate
CID 10715833
benzyl N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamate
CID 110717257
tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate
CID 142596019

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate (CID 68603052) is tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate is Cc1nn(C)c(C)c1-c1cccc(CCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate?
The InChIKey is NUCAXJBJZKPYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-17(14(2)22(6)21-13)16-9-7-8-15(12-16)10-11-20-18(23)24-19(3,4)5/h7-9,12H,10-11H2,1-6H3,(H,20,23).
What are the key properties of tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate?
tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate has a molecular weight of 329.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate is sourced from PubChem (CID 68603052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).