tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate

C18H26N4O3 — CID 131749930

IUPACtert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate
SMILESCc1c(OC[C@H](C)NC(=O)OC(C)(C)C)nn(-c2ccccc2)c1N
InChIInChI=1S/C18H26N4O3/c1-12(20-17(23)25-18(3,4)5)11-24-16-13(2)15(19)22(21-16)14-9-7-6-8-10-14/h6-10,12H,11,19H2,1-5H3,(H,20,23)/t12-/m0/s1
InChIKeyFJGXIOXUDWPRLW-LBPRGKRZSA-N
MW346.43 g/mol
LogP3.05
Rot. Bonds5

About tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate

tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate (PubChem CID 131749930) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate
PubChem CID131749930
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Nametert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate
SMILESCc1c(OC[C@H](C)NC(=O)OC(C)(C)C)nn(-c2ccccc2)c1N
InChIInChI=1S/C18H26N4O3/c1-12(20-17(23)25-18(3,4)5)11-24-16-13(2)15(19)22(21-16)14-9-7-6-8-10-14/h6-10,12H,11,19H2,1-5H3,(H,20,23)/t12-/m0/s1
InChIKeyFJGXIOXUDWPRLW-LBPRGKRZSA-N
XLogP3.05
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]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-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl 3-[(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxymethyl]-3-fluoropyrrolidine-1-carboxylate
CID 90156072
tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate
CID 141339263
[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 71041411
tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate
CID 175410962
tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate
CID 167472228
tert-butyl N-[1-(3-amino-2-phenylindazol-6-yl)-2,2,2-trifluoroethyl]carbamate
CID 123689411
tert-butyl N-[(1S)-1-(3-amino-2-phenylindazol-6-yl)-2,2,2-trifluoroethyl]carbamate
CID 118408662
3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-phenylpyrazole-5-carboxylic acid
CID 135017164
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880723
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 89189178

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate (CID 131749930) is tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate is Cc1c(OC[C@H](C)NC(=O)OC(C)(C)C)nn(-c2ccccc2)c1N.
What is the InChIKey of tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate?
The InChIKey is FJGXIOXUDWPRLW-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12(20-17(23)25-18(3,4)5)11-24-16-13(2)15(19)22(21-16)14-9-7-6-8-10-14/h6-10,12H,11,19H2,1-5H3,(H,20,23)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate is sourced from PubChem (CID 131749930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).