tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate

C18H33N3O3 — CID 150208323

IUPACtert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate
SMILESCC(C)c1cc(CO)n(CC(NC(=O)OC(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C18H33N3O3/c1-12(2)14-9-13(11-22)21(20-14)10-15(17(3,4)5)19-16(23)24-18(6,7)8/h9,12,15,22H,10-11H2,1-8H3,(H,19,23)
InChIKeyFQYFESVIGXIYBU-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.44
Rot. Bonds5

About tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate

tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate (PubChem CID 150208323) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate
PubChem CID150208323
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Nametert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate
SMILESCC(C)c1cc(CO)n(CC(NC(=O)OC(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C18H33N3O3/c1-12(2)14-9-13(11-22)21(20-14)10-15(17(3,4)5)19-16(23)24-18(6,7)8/h9,12,15,22H,10-11H2,1-8H3,(H,19,23)
InChIKeyFQYFESVIGXIYBU-UHFFFAOYSA-N
XLogP3.44
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
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CID 5067288
tert-butyl N-[1-[4-(hydroxymethyl)phenyl]ethyl]carbamate
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tert-butyl N-[1-(1,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]carbamate
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tert-butyl N-(1,1,1-trifluoro-4,4-dimethylpentan-3-yl)carbamate
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[3-bromo-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazol-5-yl]methyl-triethylazanium;methanesulfonate
CID 170328208
tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate
CID 130748149
[1,3-di(propan-2-yl)pyrazol-5-yl]methanol
CID 167336895
methyl 3-(3-cyanophenyl)-1-[(2R)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4-pyridin-4-ylpyrazole-5-carboxylate
CID 177001969
tert-butyl N-[2-[5-(hydroxymethyl)-3-nitropyrazol-1-yl]ethyl]carbamate
CID 154660176
tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate
CID 130470626
tert-butyl N-[1-[3-formyl-7-(3-methoxypropoxy)indazol-2-yl]-3,3-dimethylbutan-2-yl]carbamate
CID 138657944

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate (CID 150208323) is tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate is CC(C)c1cc(CO)n(CC(NC(=O)OC(C)(C)C)C(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate?
The InChIKey is FQYFESVIGXIYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-12(2)14-9-13(11-22)21(20-14)10-15(17(3,4)5)19-16(23)24-18(6,7)8/h9,12,15,22H,10-11H2,1-8H3,(H,19,23).
What are the key properties of tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate?
tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate has a molecular weight of 339.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate is sourced from PubChem (CID 150208323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).