tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane

C19H32N2O3 — CID 142372510

IUPACtert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)n1ccc(OCCC(C2CC2)C2CC2)n1
InChIInChI=1S/C17H26N2O3.C2H6/c1-17(2,3)22-16(20)19-10-8-15(18-19)21-11-9-14(12-4-5-12)13-6-7-13;1-2/h8,10,12-14H,4-7,9,11H2,1-3H3;1-2H3
InChIKeyHXPANDROGAKGGY-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.90
Rot. Bonds6

About tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane

tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane (PubChem CID 142372510) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane
PubChem CID142372510
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nametert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)n1ccc(OCCC(C2CC2)C2CC2)n1
InChIInChI=1S/C17H26N2O3.C2H6/c1-17(2,3)22-16(20)19-10-8-15(18-19)21-11-9-14(12-4-5-12)13-6-7-13;1-2/h8,10,12-14H,4-7,9,11H2,1-3H3;1-2H3
InChIKeyHXPANDROGAKGGY-UHFFFAOYSA-N
XLogP4.90
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate
CID 134393462
CID 153335568
CID 153335568
tert-butyl 3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazole-1-carboxylate
CID 134587384
butyl 3-(2,2-dicyclopropylethoxy)pyrazole-1-carboxylate
CID 153410858
tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate
CID 134393511
tert-butyl 3-[4-(dimethylamino)cyclohexyl]oxypyrazole-1-carboxylate
CID 126655423
tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate
CID 134398545
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-(aminomethyl)pyrazole-1-carboxylate
CID 53407742
tert-butyl 3-[(4-cyano-2-fluorophenyl)methoxy]pyrazole-1-carboxylate
CID 162737357
tert-butyl 3-[(4-iodophenoxy)methyl]pyrazole-1-carboxylate
CID 171845899
tert-butyl 3-ethynylpyrazole-1-carboxylate
CID 150227758

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane?
The IUPAC name of tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane (CID 142372510) is tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)n1ccc(OCCC(C2CC2)C2CC2)n1.
What is the InChIKey of tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane?
The InChIKey is HXPANDROGAKGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.C2H6/c1-17(2,3)22-16(20)19-10-8-15(18-19)21-11-9-14(12-4-5-12)13-6-7-13;1-2/h8,10,12-14H,4-7,9,11H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane?
tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane has a molecular weight of 336.48 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane is sourced from PubChem (CID 142372510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).