tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate

C18H25N3O3 — CID 141339263

IUPACtert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate
SMILESC[C@@H](COc1ccn(Cc2ccccc2)n1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H25N3O3/c1-14(19-17(22)24-18(2,3)4)13-23-16-10-11-21(20-16)12-15-8-6-5-7-9-15/h5-11,14H,12-13H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKeyHMAYATLCIJDNFA-AWEZNQCLSA-N
MW331.42 g/mol
LogP3.22
Rot. Bonds6

About tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate

tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate (PubChem CID 141339263) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate
PubChem CID141339263
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Nametert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate
SMILESC[C@@H](COc1ccn(Cc2ccccc2)n1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H25N3O3/c1-14(19-17(22)24-18(2,3)4)13-23-16-10-11-21(20-16)12-15-8-6-5-7-9-15/h5-11,14H,12-13H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKeyHMAYATLCIJDNFA-AWEZNQCLSA-N
XLogP3.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate
CID 131749930
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[[10-[[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxypropoxy]triazol-1-yl]methyl]anthracen-9-yl]methyl]triazol-4-yl]oxypropanoate
CID 102417737
tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate
CID 126672095
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
CID 96581873
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate
CID 69076839
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
(2R)-3-(1-benzylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate (CID 141339263) is tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate is C[C@@H](COc1ccn(Cc2ccccc2)n1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate?
The InChIKey is HMAYATLCIJDNFA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(19-17(22)24-18(2,3)4)13-23-16-10-11-21(20-16)12-15-8-6-5-7-9-15/h5-11,14H,12-13H2,1-4H3,(H,19,22)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate has a molecular weight of 331.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate is sourced from PubChem (CID 141339263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).