1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate

C16H22N4O3 — CID 71936073

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate
SMILESCc1nnc(C(C)OC(=O)c2cc(C3CC3)nn2C(C)(C)C)o1
InChIInChI=1S/C16H22N4O3/c1-9(14-18-17-10(2)23-14)22-15(21)13-8-12(11-6-7-11)19-20(13)16(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyVTKCBCPNZLEONW-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.12
Rot. Bonds4

About 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate

1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate (PubChem CID 71936073) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate
PubChem CID71936073
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate
SMILESCc1nnc(C(C)OC(=O)c2cc(C3CC3)nn2C(C)(C)C)o1
InChIInChI=1S/C16H22N4O3/c1-9(14-18-17-10(2)23-14)22-15(21)13-8-12(11-6-7-11)19-20(13)16(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyVTKCBCPNZLEONW-UHFFFAOYSA-N
XLogP3.12
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-tert-butyl-3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-5-carboxamide
CID 47039503
1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide
CID 95138621
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate
CID 49099061
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate
CID 166200710
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate
CID 155949460
[4-(ethylcarbamoylamino)cyclohexyl] 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate
CID 47591585
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 2-fluoro-5-(trifluoromethyl)benzoate
CID 75513033
N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide
CID 55738642
[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55740621
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 2-bromo-4-chlorobenzoate
CID 86779255
(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 55746987
1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide
CID 55908630

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate (CID 71936073) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate is Cc1nnc(C(C)OC(=O)c2cc(C3CC3)nn2C(C)(C)C)o1.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate?
The InChIKey is VTKCBCPNZLEONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-9(14-18-17-10(2)23-14)22-15(21)13-8-12(11-6-7-11)19-20(13)16(3,4)5/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate?
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate is sourced from PubChem (CID 71936073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).