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

C10H12N6O2 — CID 102703453

IUPACN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1cn[nH]c1
InChIInChI=1S/C10H12N6O2/c17-8(6-4-12-13-5-6)14-10-16-15-9(18-10)7-2-1-3-11-7/h4-5,7,11H,1-3H2,(H,12,13)(H,14,16,17)
InChIKeyPSIYXXFOWHMBKR-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.47
Rot. Bonds3

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

N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 102703453) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID102703453
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC NameN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1cn[nH]c1
InChIInChI=1S/C10H12N6O2/c17-8(6-4-12-13-5-6)14-10-16-15-9(18-10)7-2-1-3-11-7/h4-5,7,11H,1-3H2,(H,12,13)(H,14,16,17)
InChIKeyPSIYXXFOWHMBKR-UHFFFAOYSA-N
XLogP0.47
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide (CID 102703453) is N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide is O=C(Nc1nnc(C2CCCN2)o1)c1cn[nH]c1.
What is the InChIKey of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is PSIYXXFOWHMBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c17-8(6-4-12-13-5-6)14-10-16-15-9(18-10)7-2-1-3-11-7/h4-5,7,11H,1-3H2,(H,12,13)(H,14,16,17).
What are the key properties of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide?
N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 248.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 102703453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).