N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine

C17H20N4 — CID 105108998

IUPACN-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)c1cccc2ncccc12
InChIInChI=1S/C17H20N4/c1-3-18-17(13-11-20-21(4-2)12-13)15-7-5-9-16-14(15)8-6-10-19-16/h5-12,17-18H,3-4H2,1-2H3
InChIKeyDWXBHEHKLOWKGT-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.15
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine

N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine (PubChem CID 105108998) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine
PubChem CID105108998
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)c1cccc2ncccc12
InChIInChI=1S/C17H20N4/c1-3-18-17(13-11-20-21(4-2)12-13)15-7-5-9-16-14(15)8-6-10-19-16/h5-12,17-18H,3-4H2,1-2H3
InChIKeyDWXBHEHKLOWKGT-UHFFFAOYSA-N
XLogP3.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105109075
N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine
CID 105104643
N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
CID 81232108
N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816038
N-[(3-bromo-2-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107952538
N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105172000
N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine
CID 106858308
N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105171948
N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine
CID 81231393
N-[(6-methyl-3-pyridinyl)-quinolin-4-ylmethyl]ethanamine
CID 105146311
N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43492495

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine (CID 105108998) is N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine is CCNC(c1cnn(CC)c1)c1cccc2ncccc12.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine?
The InChIKey is DWXBHEHKLOWKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-18-17(13-11-20-21(4-2)12-13)15-7-5-9-16-14(15)8-6-10-19-16/h5-12,17-18H,3-4H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine?
N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine has a molecular weight of 280.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine is sourced from PubChem (CID 105108998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).