tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate

C22H32N4O3 — CID 86686707

IUPACtert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H32N4O3/c1-21(2,3)18-15-19(23-20(27)29-22(4,5)6)26(24-18)17-9-7-8-16(14-17)25-10-12-28-13-11-25/h7-9,14-15H,10-13H2,1-6H3,(H,23,27)
InChIKeyGUROKKCXMOFBHM-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.35
Rot. Bonds3

About tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate

tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate (PubChem CID 86686707) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate
PubChem CID86686707
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Nametert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H32N4O3/c1-21(2,3)18-15-19(23-20(27)29-22(4,5)6)26(24-18)17-9-7-8-16(14-17)25-10-12-28-13-11-25/h7-9,14-15H,10-13H2,1-6H3,(H,23,27)
InChIKeyGUROKKCXMOFBHM-UHFFFAOYSA-N
XLogP4.35
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
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phenyl N-[3-tert-butyl-1-[3-[2-[(2S)-oxan-2-yl]oxyethoxy]phenyl]pyrazol-5-yl]carbamate
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2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
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(4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate
CID 67091124
tert-butyl N-[[5-[(3-morpholin-4-ylphenoxy)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]carbamate
CID 90292478
1-[3-tert-butyl-1-[3-(2-morpholin-4-ylethyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate (CID 86686707) is tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate is CC(C)(C)OC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(N2CCOCC2)c1.
What is the InChIKey of tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate?
The InChIKey is GUROKKCXMOFBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-21(2,3)18-15-19(23-20(27)29-22(4,5)6)26(24-18)17-9-7-8-16(14-17)25-10-12-28-13-11-25/h7-9,14-15H,10-13H2,1-6H3,(H,23,27).
What are the key properties of tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate?
tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate has a molecular weight of 400.52 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 86686707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).