1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

C11H12N6O — CID 126947766

IUPAC1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCN(Cc3ncno3)C2)c1
InChIInChI=1S/C11H12N6O/c12-3-9-4-14-17(5-9)10-1-2-16(6-10)7-11-13-8-15-18-11/h4-5,8,10H,1-2,6-7H2
InChIKeyPVSOMLDJTRSFQO-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.58
Rot. Bonds3

About 1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126947766) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126947766
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCN(Cc3ncno3)C2)c1
InChIInChI=1S/C11H12N6O/c12-3-9-4-14-17(5-9)10-1-2-16(6-10)7-11-13-8-15-18-11/h4-5,8,10H,1-2,6-7H2
InChIKeyPVSOMLDJTRSFQO-UHFFFAOYSA-N
XLogP0.58
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (CID 126947766) is 1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CCN(Cc3ncno3)C2)c1.
What is the InChIKey of 1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is PVSOMLDJTRSFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c12-3-9-4-14-17(5-9)10-1-2-16(6-10)7-11-13-8-15-18-11/h4-5,8,10H,1-2,6-7H2.
What are the key properties of 1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 244.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126947766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).