N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide

C12H15N5O2 — CID 91917599

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2noc(C3CC3)n2)cn1
InChIInChI=1S/C12H15N5O2/c1-17-7-9(6-14-17)11(18)13-5-4-10-15-12(19-16-10)8-2-3-8/h6-8H,2-5H2,1H3,(H,13,18)
InChIKeyCODULSGHIBRTBU-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.65
Rot. Bonds5

About N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 91917599) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID91917599
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2noc(C3CC3)n2)cn1
InChIInChI=1S/C12H15N5O2/c1-17-7-9(6-14-17)11(18)13-5-4-10-15-12(19-16-10)8-2-3-8/h6-8H,2-5H2,1H3,(H,13,18)
InChIKeyCODULSGHIBRTBU-UHFFFAOYSA-N
XLogP0.65
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide (CID 91917599) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCCc2noc(C3CC3)n2)cn1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is CODULSGHIBRTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-17-7-9(6-14-17)11(18)13-5-4-10-15-12(19-16-10)8-2-3-8/h6-8H,2-5H2,1H3,(H,13,18).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 91917599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).