[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate

C20H28N4O4 — CID 175206818

IUPAC[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate
SMILESCC(C)(C)c1cc(OC(N)=O)n(-c2ccc(OCCN3CCOCC3)cc2)n1
InChIInChI=1S/C20H28N4O4/c1-20(2,3)17-14-18(28-19(21)25)24(22-17)15-4-6-16(7-5-15)27-13-10-23-8-11-26-12-9-23/h4-7,14H,8-13H2,1-3H3,(H2,21,25)
InChIKeyQURPIBZEOFIQQH-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.34
Rot. Bonds6

About [3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate

[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate (PubChem CID 175206818) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is [3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate.

Molecular Properties

Compound Name[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate
PubChem CID175206818
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate
SMILESCC(C)(C)c1cc(OC(N)=O)n(-c2ccc(OCCN3CCOCC3)cc2)n1
InChIInChI=1S/C20H28N4O4/c1-20(2,3)17-14-18(28-19(21)25)24(22-17)15-4-6-16(7-5-15)27-13-10-23-8-11-26-12-9-23/h4-7,14H,8-13H2,1-3H3,(H2,21,25)
InChIKeyQURPIBZEOFIQQH-UHFFFAOYSA-N
XLogP2.34
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-tert-butyl-1-[4-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;ethane
CID 143176923
1-[3-tert-butyl-1-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11706834
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide
CID 130424549
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
N-[4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]phenyl]acetamide
CID 11731461
3-tert-butyl-1-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 69292631
4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate?
The IUPAC name of [3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate (CID 175206818) is [3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate.
What is the SMILES notation for [3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate?
The canonical SMILES for [3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate is CC(C)(C)c1cc(OC(N)=O)n(-c2ccc(OCCN3CCOCC3)cc2)n1.
What is the InChIKey of [3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate?
The InChIKey is QURPIBZEOFIQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-20(2,3)17-14-18(28-19(21)25)24(22-17)15-4-6-16(7-5-15)27-13-10-23-8-11-26-12-9-23/h4-7,14H,8-13H2,1-3H3,(H2,21,25).
What are the key properties of [3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate?
[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate has a molecular weight of 388.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl] carbamate is sourced from PubChem (CID 175206818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).