(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C13H14N4O — CID 79745963

IUPAC(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESNc1[nH]ncc1C(=O)C1CCCc2cccnc21
InChIInChI=1S/C13H14N4O/c14-13-10(7-16-17-13)12(18)9-5-1-3-8-4-2-6-15-11(8)9/h2,4,6-7,9H,1,3,5H2,(H3,14,16,17)
InChIKeyWXFHLUOLEGFHGE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.69
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 79745963) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID79745963
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESNc1[nH]ncc1C(=O)C1CCCc2cccnc21
InChIInChI=1S/C13H14N4O/c14-13-10(7-16-17-13)12(18)9-5-1-3-8-4-2-6-15-11(8)9/h2,4,6-7,9H,1,3,5H2,(H3,14,16,17)
InChIKeyWXFHLUOLEGFHGE-UHFFFAOYSA-N
XLogP1.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 79745963) is (5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is Nc1[nH]ncc1C(=O)C1CCCc2cccnc21.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is WXFHLUOLEGFHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-13-10(7-16-17-13)12(18)9-5-1-3-8-4-2-6-15-11(8)9/h2,4,6-7,9H,1,3,5H2,(H3,14,16,17).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 242.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 79745963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).