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

C12H15N5O2 — CID 91907213

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCc1noc(C2CC2)n1
InChIInChI=1S/C12H15N5O2/c1-17-9(4-7-14-17)11(18)13-6-5-10-15-12(19-16-10)8-2-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,13,18)
InChIKeyAMRVJWWKKOKATQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.65
Rot. Bonds5

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

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 91907213) 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]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID91907213
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCc1noc(C2CC2)n1
InChIInChI=1S/C12H15N5O2/c1-17-9(4-7-14-17)11(18)13-6-5-10-15-12(19-16-10)8-2-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,13,18)
InChIKeyAMRVJWWKKOKATQ-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]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrazole-3-carboxamide (CID 91907213) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCCc1noc(C2CC2)n1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is AMRVJWWKKOKATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-17-9(4-7-14-17)11(18)13-6-5-10-15-12(19-16-10)8-2-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,13,18).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrazole-3-carboxamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrazole-3-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]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91907213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).