3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile

C17H17FN6 — CID 71862590

IUPAC3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile
SMILESCN(CCCc1[nH]nc(N)c1C#N)c1ccc2ccc(F)cc2n1
InChIInChI=1S/C17H17FN6/c1-24(8-2-3-14-13(10-19)17(20)23-22-14)16-7-5-11-4-6-12(18)9-15(11)21-16/h4-7,9H,2-3,8H2,1H3,(H3,20,22,23)
InChIKeyTYNHVQUIVXROOE-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.62
Rot. Bonds5

About 3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile

3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile (PubChem CID 71862590) has the molecular formula C17H17FN6 and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile
PubChem CID71862590
Molecular FormulaC17H17FN6
Molecular Weight324.36 g/mol
Exact Mass324.15
IUPAC Name3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile
SMILESCN(CCCc1[nH]nc(N)c1C#N)c1ccc2ccc(F)cc2n1
InChIInChI=1S/C17H17FN6/c1-24(8-2-3-14-13(10-19)17(20)23-22-14)16-7-5-11-4-6-12(18)9-15(11)21-16/h4-7,9H,2-3,8H2,1H3,(H3,20,22,23)
InChIKeyTYNHVQUIVXROOE-UHFFFAOYSA-N
XLogP2.62
TPSA94.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile (CID 71862590) is 3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile is CN(CCCc1[nH]nc(N)c1C#N)c1ccc2ccc(F)cc2n1.
What is the InChIKey of 3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile?
The InChIKey is TYNHVQUIVXROOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6/c1-24(8-2-3-14-13(10-19)17(20)23-22-14)16-7-5-11-4-6-12(18)9-15(11)21-16/h4-7,9H,2-3,8H2,1H3,(H3,20,22,23).
What are the key properties of 3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile?
3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile has a molecular weight of 324.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-[(7-fluoroquinolin-2-yl)-methylamino]propyl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 71862590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).