3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one

C12H18N4O2 — CID 75381250

IUPAC3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(Cc2ccn(C(C)C)n2)c(=O)o1
InChIInChI=1S/C12H18N4O2/c1-4-5-11-14-16(12(17)18-11)8-10-6-7-15(13-10)9(2)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyKQTOZKHVECBSFR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.61
Rot. Bonds5

About 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one

3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one (PubChem CID 75381250) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one
PubChem CID75381250
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(Cc2ccn(C(C)C)n2)c(=O)o1
InChIInChI=1S/C12H18N4O2/c1-4-5-11-14-16(12(17)18-11)8-10-6-7-15(13-10)9(2)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyKQTOZKHVECBSFR-UHFFFAOYSA-N
XLogP1.61
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one (CID 75381250) is 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one is CCCc1nn(Cc2ccn(C(C)C)n2)c(=O)o1.
What is the InChIKey of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one?
The InChIKey is KQTOZKHVECBSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-5-11-14-16(12(17)18-11)8-10-6-7-15(13-10)9(2)3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one?
3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 75381250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).