N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

C15H17N5O — CID 103117754

IUPACN-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESN#CC1(NC(=O)c2cnn3ccncc23)CCCCCC1
InChIInChI=1S/C15H17N5O/c16-11-15(5-3-1-2-4-6-15)19-14(21)12-9-18-20-8-7-17-10-13(12)20/h7-10H,1-6H2,(H,19,21)
InChIKeyDUFNMGZBULDFLH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.08
Rot. Bonds2

About N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103117754) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103117754
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESN#CC1(NC(=O)c2cnn3ccncc23)CCCCCC1
InChIInChI=1S/C15H17N5O/c16-11-15(5-3-1-2-4-6-15)19-14(21)12-9-18-20-8-7-17-10-13(12)20/h7-10H,1-6H2,(H,19,21)
InChIKeyDUFNMGZBULDFLH-UHFFFAOYSA-N
XLogP2.08
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103117754) is N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is N#CC1(NC(=O)c2cnn3ccncc23)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is DUFNMGZBULDFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-11-15(5-3-1-2-4-6-15)19-14(21)12-9-18-20-8-7-17-10-13(12)20/h7-10H,1-6H2,(H,19,21).
What are the key properties of N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103117754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).