5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile

C14H10FN5 — CID 4738100

IUPAC5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile
SMILESCc1cc(-n2ncc(C#N)c2N)nc2ccc(F)cc12
InChIInChI=1S/C14H10FN5/c1-8-4-13(20-14(17)9(6-16)7-18-20)19-12-3-2-10(15)5-11(8)12/h2-5,7H,17H2,1H3
InChIKeyZACHDKOASDNZMT-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.32
Rot. Bonds1

About 5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile

5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile (PubChem CID 4738100) has the molecular formula C14H10FN5 and a molecular weight of 267.27 g/mol. Its IUPAC name is 5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile
PubChem CID4738100
Molecular FormulaC14H10FN5
Molecular Weight267.27 g/mol
Exact Mass267.09
IUPAC Name5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile
SMILESCc1cc(-n2ncc(C#N)c2N)nc2ccc(F)cc12
InChIInChI=1S/C14H10FN5/c1-8-4-13(20-14(17)9(6-16)7-18-20)19-12-3-2-10(15)5-11(8)12/h2-5,7H,17H2,1H3
InChIKeyZACHDKOASDNZMT-UHFFFAOYSA-N
XLogP2.32
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile (CID 4738100) is 5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile is Cc1cc(-n2ncc(C#N)c2N)nc2ccc(F)cc12.
What is the InChIKey of 5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile?
The InChIKey is ZACHDKOASDNZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5/c1-8-4-13(20-14(17)9(6-16)7-18-20)19-12-3-2-10(15)5-11(8)12/h2-5,7H,17H2,1H3.
What are the key properties of 5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile?
5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile has a molecular weight of 267.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 4738100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).