tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate

C13H23N3O3 — CID 171601787

IUPACtert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate
SMILESC[C@H](O)CN(Cc1ccnn1C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O3/c1-10(17)8-16(12(18)19-13(2,3)4)9-11-6-7-14-15(11)5/h6-7,10,17H,8-9H2,1-5H3/t10-/m0/s1
InChIKeyCQDDDBHSUBKDRX-JTQLQIEISA-N
MW269.35 g/mol
LogP1.54
Rot. Bonds4

About tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate

tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate (PubChem CID 171601787) has the molecular formula C13H23N3O3 and a molecular weight of 269.35 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate
PubChem CID171601787
Molecular FormulaC13H23N3O3
Molecular Weight269.35 g/mol
Exact Mass269.17
IUPAC Nametert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate
SMILESC[C@H](O)CN(Cc1ccnn1C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O3/c1-10(17)8-16(12(18)19-13(2,3)4)9-11-6-7-14-15(11)5/h6-7,10,17H,8-9H2,1-5H3/t10-/m0/s1
InChIKeyCQDDDBHSUBKDRX-JTQLQIEISA-N
XLogP1.54
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Boc-4,5,6,7-tetrahydro-pyrazolo[1,5-A]pyrazine
CID 58440750
N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 177681298
3-[(1-Propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 75381250
tert-butyl N-[2-[[(2S)-2,3-dihydroxypropyl]-[(2-methylpyrazol-3-yl)methyl]amino]ethyl]carbamate
CID 125536042
1-(4,4-Dimethyl-1,3-oxazolidin-3-yl)-2-(5-methylpyrazol-1-yl)ethanone
CID 137956328
tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-2-hydroxypropyl]-N-methylcarbamate
CID 171359209
tert-butyl N-[(2R)-1-[2,2-difluoroethyl-[(1-methylpyrazol-3-yl)methyl]amino]propan-2-yl]-N-methylcarbamate
CID 176164455
1-(diallylamino)-3-(3-methyl-1H-pyrazol-1-yl)propan-2-ol
CID 3397368
Tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate
CID 135025372
N-(2-hydroxypropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 62334429
1,1,1-Trifluoro-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propan-2-ol
CID 109968149
propan-2-yl N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 154760057

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate (CID 171601787) is tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate is C[C@H](O)CN(Cc1ccnn1C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate?
The InChIKey is CQDDDBHSUBKDRX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(17)8-16(12(18)19-13(2,3)4)9-11-6-7-14-15(11)5/h6-7,10,17H,8-9H2,1-5H3/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate?
tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate has a molecular weight of 269.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-hydroxypropyl]-N-[(2-methylpyrazol-3-yl)methyl]carbamate is sourced from PubChem (CID 171601787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).