tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate

C14H22N2O3 — CID 134393462

IUPACtert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate
SMILESCC1(CCOc2ccn(C(=O)OC(C)(C)C)n2)CC1
InChIInChI=1S/C14H22N2O3/c1-13(2,3)19-12(17)16-9-5-11(15-16)18-10-8-14(4)6-7-14/h5,9H,6-8,10H2,1-4H3
InChIKeyAKFHHVYFJKRHRG-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.24
Rot. Bonds4

About tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate

tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate (PubChem CID 134393462) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate
PubChem CID134393462
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate
SMILESCC1(CCOc2ccn(C(=O)OC(C)(C)C)n2)CC1
InChIInChI=1S/C14H22N2O3/c1-13(2,3)19-12(17)16-9-5-11(15-16)18-10-8-14(4)6-7-14/h5,9H,6-8,10H2,1-4H3
InChIKeyAKFHHVYFJKRHRG-UHFFFAOYSA-N
XLogP3.24
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 153335568
CID 153335568
tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane
CID 142372510
tert-butyl 3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazole-1-carboxylate
CID 134587384
tert-butyl 3-[(1-methylcyclobutyl)methoxy]pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;(1-methylcyclobutyl)methanol
CID 160604510
tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate
CID 134393511
tert-butyl 3-(3,3-dimethylbutoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;3,3-dimethylbutan-1-ol
CID 167690691
tert-butyl 3-[(1-ethylcyclopropyl)methoxy]pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;(1-ethylcyclopropyl)methanol
CID 159351166
tert-butyl 3-(aminomethyl)pyrazole-1-carboxylate
CID 53407742
tert-butyl 3-[[dimethyl-[1-(trifluoromethyl)cyclopropyl]silyl]methoxy]pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;[dimethyl-[1-(trifluoromethyl)cyclopropyl]silyl]methanol
CID 159107032
tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole-1-carboxylate;[1-(trifluoromethyl)cyclopropyl]methanol
CID 159724250
tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate
CID 134398545
tert-butyl 3-[(4-cyano-2-fluorophenyl)methoxy]pyrazole-1-carboxylate
CID 162737357

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate (CID 134393462) is tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate is CC1(CCOc2ccn(C(=O)OC(C)(C)C)n2)CC1.
What is the InChIKey of tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate?
The InChIKey is AKFHHVYFJKRHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-13(2,3)19-12(17)16-9-5-11(15-16)18-10-8-14(4)6-7-14/h5,9H,6-8,10H2,1-4H3.
What are the key properties of tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate?
tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate is sourced from PubChem (CID 134393462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).