4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline

C15H15N5O — CID 115914049

IUPAC4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
SMILESCn1cc(-c2noc(C3(c4ccc(N)cc4)CC3)n2)cn1
InChIInChI=1S/C15H15N5O/c1-20-9-10(8-17-20)13-18-14(21-19-13)15(6-7-15)11-2-4-12(16)5-3-11/h2-5,8-9H,6-7,16H2,1H3
InChIKeyBRDZCCWCHSVMAT-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.13
Rot. Bonds3

About 4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline

4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline (PubChem CID 115914049) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
PubChem CID115914049
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
SMILESCn1cc(-c2noc(C3(c4ccc(N)cc4)CC3)n2)cn1
InChIInChI=1S/C15H15N5O/c1-20-9-10(8-17-20)13-18-14(21-19-13)15(6-7-15)11-2-4-12(16)5-3-11/h2-5,8-9H,6-7,16H2,1H3
InChIKeyBRDZCCWCHSVMAT-UHFFFAOYSA-N
XLogP2.13
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline (CID 115914049) is 4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline is Cn1cc(-c2noc(C3(c4ccc(N)cc4)CC3)n2)cn1.
What is the InChIKey of 4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline?
The InChIKey is BRDZCCWCHSVMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-20-9-10(8-17-20)13-18-14(21-19-13)15(6-7-15)11-2-4-12(16)5-3-11/h2-5,8-9H,6-7,16H2,1H3.
What are the key properties of 4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline?
4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline has a molecular weight of 281.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline is sourced from PubChem (CID 115914049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).