2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole

C10H14N4O — CID 169163056

IUPAC2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1nn(C)cc1-c1nnc(C(C)C)o1
InChIInChI=1S/C10H14N4O/c1-6(2)9-11-12-10(15-9)8-5-14(4)13-7(8)3/h5-6H,1-4H3
InChIKeyNFDRXKILNCMTBO-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.90
Rot. Bonds2

About 2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole

2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 169163056) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID169163056
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1nn(C)cc1-c1nnc(C(C)C)o1
InChIInChI=1S/C10H14N4O/c1-6(2)9-11-12-10(15-9)8-5-14(4)13-7(8)3/h5-6H,1-4H3
InChIKeyNFDRXKILNCMTBO-UHFFFAOYSA-N
XLogP1.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole (CID 169163056) is 2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole is Cc1nn(C)cc1-c1nnc(C(C)C)o1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is NFDRXKILNCMTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6(2)9-11-12-10(15-9)8-5-14(4)13-7(8)3/h5-6H,1-4H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 206.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 169163056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).