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

C12H16N6O2 — CID 102703527

IUPAC3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C12H16N6O2/c1-6-9(7(2)16-15-6)10(19)14-12-18-17-11(20-12)8-4-3-5-13-8/h8,13H,3-5H2,1-2H3,(H,15,16)(H,14,18,19)
InChIKeySPKCPSZYGUIVNA-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.09
Rot. Bonds3

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

3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 102703527) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID102703527
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C12H16N6O2/c1-6-9(7(2)16-15-6)10(19)14-12-18-17-11(20-12)8-4-3-5-13-8/h8,13H,3-5H2,1-2H3,(H,15,16)(H,14,18,19)
InChIKeySPKCPSZYGUIVNA-UHFFFAOYSA-N
XLogP1.09
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide (CID 102703527) is 3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is SPKCPSZYGUIVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-6-9(7(2)16-15-6)10(19)14-12-18-17-11(20-12)8-4-3-5-13-8/h8,13H,3-5H2,1-2H3,(H,15,16)(H,14,18,19).
What are the key properties of 3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 102703527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).