5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine

C14H14N4O — CID 117388997

IUPAC5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine
SMILESCCOc1ccc(-c2cc(N)n[nH]2)c2cccnc12
InChIInChI=1S/C14H14N4O/c1-2-19-12-6-5-9(11-8-13(15)18-17-11)10-4-3-7-16-14(10)12/h3-8H,2H2,1H3,(H3,15,17,18)
InChIKeyZLFDCKJKMCKHCX-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.61
Rot. Bonds3

About 5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine

5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine (PubChem CID 117388997) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine
PubChem CID117388997
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine
SMILESCCOc1ccc(-c2cc(N)n[nH]2)c2cccnc12
InChIInChI=1S/C14H14N4O/c1-2-19-12-6-5-9(11-8-13(15)18-17-11)10-4-3-7-16-14(10)12/h3-8H,2H2,1H3,(H3,15,17,18)
InChIKeyZLFDCKJKMCKHCX-UHFFFAOYSA-N
XLogP2.61
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxynaphthalen-1-yl)-1H-pyrazol-3-amine
CID 3539207
8-ethoxy-5-isoquinolin-1-ylquinoline
CID 18784017
5-bromo-8-ethoxyquinoline
CID 100612531
5-(4-ethoxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 3480116
1-(8-ethoxyquinolin-5-yl)ethanol
CID 82264789
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 115533139
8-ethoxyquinoline-5-carbohydrazide
CID 84613958
4-(8-ethoxyquinolin-5-yl)butan-1-amine
CID 117362958
5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117309562
5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine
CID 82084486
5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine
CID 3294340
8-Ethoxy-5-quinolinesulfonic acid sodium salt monohydrate
CID 45157436

Frequently Asked Questions

What is the IUPAC name of 5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine (CID 117388997) is 5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine is CCOc1ccc(-c2cc(N)n[nH]2)c2cccnc12.
What is the InChIKey of 5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine?
The InChIKey is ZLFDCKJKMCKHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-19-12-6-5-9(11-8-13(15)18-17-11)10-4-3-7-16-14(10)12/h3-8H,2H2,1H3,(H3,15,17,18).
What are the key properties of 5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine?
5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine has a molecular weight of 254.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117388997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).