tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate

C15H26BrN3O3 — CID 106508898

IUPACtert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate
SMILESCCc1nn(C)c(CC(CO)CNC(=O)OC(C)(C)C)c1Br
InChIInChI=1S/C15H26BrN3O3/c1-6-11-13(16)12(19(5)18-11)7-10(9-20)8-17-14(21)22-15(2,3)4/h10,20H,6-9H2,1-5H3,(H,17,21)
InChIKeyFHHCUDDGCSTPJD-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.42
Rot. Bonds6

About tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate

tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate (PubChem CID 106508898) has the molecular formula C15H26BrN3O3 and a molecular weight of 376.30 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate
PubChem CID106508898
Molecular FormulaC15H26BrN3O3
Molecular Weight376.30 g/mol
Exact Mass375.12
IUPAC Nametert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate
SMILESCCc1nn(C)c(CC(CO)CNC(=O)OC(C)(C)C)c1Br
InChIInChI=1S/C15H26BrN3O3/c1-6-11-13(16)12(19(5)18-11)7-10(9-20)8-17-14(21)22-15(2,3)4/h10,20H,6-9H2,1-5H3,(H,17,21)
InChIKeyFHHCUDDGCSTPJD-UHFFFAOYSA-N
XLogP2.42
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate
CID 106508989
tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate
CID 99801513
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypropyl]carbamate
CID 106508909
tert-butyl N-[2-(hydroxymethyl)-3-(1-methyltriazol-4-yl)propyl]carbamate
CID 107053943
tert-butyl N-[2-[(4-tert-butylphenyl)methyl]-3-hydroxypropyl]carbamate
CID 106508886
tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate
CID 104932662
tert-butyl N-[2-(hydroxymethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]carbamate
CID 106508993
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2,3-dimethylbutanoic acid
CID 81009375
tert-butyl N-[2-[(2,6-dichlorophenyl)methyl]-3-hydroxypropyl]carbamate
CID 106508926
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-one
CID 79197859
2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 83138601
tert-butyl N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]carbamate
CID 106508919

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate (CID 106508898) is tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate is CCc1nn(C)c(CC(CO)CNC(=O)OC(C)(C)C)c1Br.
What is the InChIKey of tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate?
The InChIKey is FHHCUDDGCSTPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O3/c1-6-11-13(16)12(19(5)18-11)7-10(9-20)8-17-14(21)22-15(2,3)4/h10,20H,6-9H2,1-5H3,(H,17,21).
What are the key properties of tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate?
tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate has a molecular weight of 376.30 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate is sourced from PubChem (CID 106508898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).