N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide

C15H11N5O — CID 112723593

IUPACN-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1cccc2cccnc12
InChIInChI=1S/C15H11N5O/c1-20-14(11(8-16)9-18-20)19-15(21)12-6-2-4-10-5-3-7-17-13(10)12/h2-7,9H,1H3,(H,19,21)
InChIKeyPRAKTOBHZCGCDU-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.09
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide

N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide (PubChem CID 112723593) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide
PubChem CID112723593
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1cccc2cccnc12
InChIInChI=1S/C15H11N5O/c1-20-14(11(8-16)9-18-20)19-15(21)12-6-2-4-10-5-3-7-17-13(10)12/h2-7,9H,1H3,(H,19,21)
InChIKeyPRAKTOBHZCGCDU-UHFFFAOYSA-N
XLogP2.09
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide (CID 112723593) is N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide is Cn1ncc(C#N)c1NC(=O)c1cccc2cccnc12.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide?
The InChIKey is PRAKTOBHZCGCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c1-20-14(11(8-16)9-18-20)19-15(21)12-6-2-4-10-5-3-7-17-13(10)12/h2-7,9H,1H3,(H,19,21).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide?
N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)quinoline-8-carboxamide is sourced from PubChem (CID 112723593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).