phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate

C26H35N3O4Si — CID 89189356

IUPACphenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
SMILESCc1c(OC[C@H](C)O[Si](C)(C)C(C)(C)C)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C26H35N3O4Si/c1-19(33-34(6,7)26(3,4)5)18-31-24-20(2)23(29(28-24)21-14-10-8-11-15-21)27-25(30)32-22-16-12-9-13-17-22/h8-17,19H,18H2,1-7H3,(H,27,30)/t19-/m0/s1
InChIKeyKVTAWBXATVIXEG-IBGZPJMESA-N
MW481.67 g/mol
LogP6.58
Rot. Bonds8

About phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate

phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate (PubChem CID 89189356) has the molecular formula C26H35N3O4Si and a molecular weight of 481.67 g/mol. Its IUPAC name is phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
PubChem CID89189356
Molecular FormulaC26H35N3O4Si
Molecular Weight481.67 g/mol
Exact Mass481.24
IUPAC Namephenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
SMILESCc1c(OC[C@H](C)O[Si](C)(C)C(C)(C)C)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C26H35N3O4Si/c1-19(33-34(6,7)26(3,4)5)18-31-24-20(2)23(29(28-24)21-14-10-8-11-15-21)27-25(30)32-22-16-12-9-13-17-22/h8-17,19H,18H2,1-7H3,(H,27,30)/t19-/m0/s1
InChIKeyKVTAWBXATVIXEG-IBGZPJMESA-N
XLogP6.58
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.67
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

phenyl 4-fluoro-3-methyl-1-phenyl-1H-pyrazol-5-ylcarbamate
CID 89189117
[4-Methyl-5-(phenoxycarbonylamino)-1-phenylpyrazol-3-yl] trifluoromethanesulfonate
CID 89189352
phenyl N-[5-(1,1-difluoro-2-hydroxyethyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate
CID 89215825
phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 118128540
phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate
CID 118148426
phenyl N-[4-methyl-2-phenyl-5-(2,2,2-trifluoroethoxy)pyrazol-3-yl]carbamate
CID 123707599
phenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate
CID 174715182
phenyl 3-tert-butyl-1-phenyl-1H-pyrazol-5-ylcarbamate
CID 46196894
phenyl 3-isopropyl-1-phenyl-1H-pyrazol-5-ylcarbamate
CID 46196895
Phenyl 3-tert-butyl-1-(4-(tert-butyldimethylsilyloxy)phenyl)-1H-pyrazol-5-ylcarbamate
CID 57925605
phenyl 3-tert-butyl-1-(3-(tert-butyldimethylsilyloxy)phenyl)-1H-pyrazol-5-ylcarbamate
CID 57925648
phenyl 3-(2-ethoxypropan-2-yl)-1-phenyl-1H-pyrazol-5-ylcarbamate
CID 66876777

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate (CID 89189356) is phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate is Cc1c(OC[C@H](C)O[Si](C)(C)C(C)(C)C)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate?
The InChIKey is KVTAWBXATVIXEG-IBGZPJMESA-N. The full InChI is InChI=1S/C26H35N3O4Si/c1-19(33-34(6,7)26(3,4)5)18-31-24-20(2)23(29(28-24)21-14-10-8-11-15-21)27-25(30)32-22-16-12-9-13-17-22/h8-17,19H,18H2,1-7H3,(H,27,30)/t19-/m0/s1.
What are the key properties of phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate?
phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate has a molecular weight of 481.67 g/mol, XLogP of 6.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate is sourced from PubChem (CID 89189356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).