1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide

C13H18N6O2 — CID 102703303

IUPAC1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C13H18N6O2/c1-7-10(8(2)19(3)18-7)11(20)15-13-17-16-12(21-13)9-5-4-6-14-9/h9,14H,4-6H2,1-3H3,(H,15,17,20)
InChIKeySCCXTZDILHCXRX-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.10
Rot. Bonds3

About 1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide

1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 102703303) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
PubChem CID102703303
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C13H18N6O2/c1-7-10(8(2)19(3)18-7)11(20)15-13-17-16-12(21-13)9-5-4-6-14-9/h9,14H,4-6H2,1-3H3,(H,15,17,20)
InChIKeySCCXTZDILHCXRX-UHFFFAOYSA-N
XLogP1.10
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide (CID 102703303) is 1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is SCCXTZDILHCXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-7-10(8(2)19(3)18-7)11(20)15-13-17-16-12(21-13)9-5-4-6-14-9/h9,14H,4-6H2,1-3H3,(H,15,17,20).
What are the key properties of 1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide?
1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 102703303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).