tert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate

C14H22N2O2 — CID 135342786

IUPACtert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate
SMILESCCC1C(C(=O)OC(C)(C)C)C1c1cnn(C)c1
InChIInChI=1S/C14H22N2O2/c1-6-10-11(9-7-15-16(5)8-9)12(10)13(17)18-14(2,3)4/h7-8,10-12H,6H2,1-5H3
InChIKeyIIWRNYMGCZXRFF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.50
Rot. Bonds3

About tert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate

tert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate (PubChem CID 135342786) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate
PubChem CID135342786
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate
SMILESCCC1C(C(=O)OC(C)(C)C)C1c1cnn(C)c1
InChIInChI=1S/C14H22N2O2/c1-6-10-11(9-7-15-16(5)8-9)12(10)13(17)18-14(2,3)4/h7-8,10-12H,6H2,1-5H3
InChIKeyIIWRNYMGCZXRFF-UHFFFAOYSA-N
XLogP2.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropyl]-2-methylpropan-1-one
CID 139468552
tert-butyl 5-hydroxy-3-(1-methylpyrazol-4-yl)-1,2-oxazolidine-2-carboxylate
CID 162376374
1-O-tert-butyl 3-O-ethyl (3R,4S)-4-(1-methylpyrazol-4-yl)piperidine-1,3-dicarboxylate
CID 158458084
tert-butyl 2-(1-methylpyrazol-4-yl)acetate
CID 71758654
tert-butyl 7-[3-[[(1S,3S)-2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-7-fluoroisoquinolin-6-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 161389776
tert-butyl 3-(1-methylpyrazol-4-yl)-4-oxopiperidine-1-carboxylate
CID 166561621
trans-tert-butyl (1S,3S)-2-methyl-3-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxylate
CID 135342751
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
CID 124509244
tert-butyl 4,4-difluoro-1-methyl-3-(1-methylpyrazol-4-yl)piperidin-1-ium-1-carboxylate
CID 170236298
tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate
CID 70847647
methyl 2-(1-methylpyrazol-4-yl)-3-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylate
CID 135343162

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate (CID 135342786) is tert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate is CCC1C(C(=O)OC(C)(C)C)C1c1cnn(C)c1.
What is the InChIKey of tert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate?
The InChIKey is IIWRNYMGCZXRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-6-10-11(9-7-15-16(5)8-9)12(10)13(17)18-14(2,3)4/h7-8,10-12H,6H2,1-5H3.
What are the key properties of tert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate?
tert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 135342786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).