N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine

C16H19N5 — CID 105148549

IUPACN-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc2nccnc12)c1ccnn1C
InChIInChI=1S/C16H19N5/c1-3-8-18-16(14-7-9-20-21(14)2)12-5-4-6-13-15(12)19-11-10-17-13/h4-7,9-11,16,18H,3,8H2,1-2H3
InChIKeyZFXIAPYIVQIWTC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.45
Rot. Bonds5

About N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine

N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine (PubChem CID 105148549) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine
PubChem CID105148549
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc2nccnc12)c1ccnn1C
InChIInChI=1S/C16H19N5/c1-3-8-18-16(14-7-9-20-21(14)2)12-5-4-6-13-15(12)19-11-10-17-13/h4-7,9-11,16,18H,3,8H2,1-2H3
InChIKeyZFXIAPYIVQIWTC-UHFFFAOYSA-N
XLogP2.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858738
N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105161984
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine
CID 63962466
N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 107361665
N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 115858376
N-[(2-bromofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857638
N-[(3,6-dimethylpyridazin-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148759
N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine
CID 105184613
N-propyl-1-quinoxalin-5-ylhexan-1-amine
CID 105129498
N-[(2-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858593
N-[(2-bromo-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858461

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine (CID 105148549) is N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine is CCCNC(c1cccc2nccnc12)c1ccnn1C.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine?
The InChIKey is ZFXIAPYIVQIWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-8-18-16(14-7-9-20-21(14)2)12-5-4-6-13-15(12)19-11-10-17-13/h4-7,9-11,16,18H,3,8H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine?
N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 105148549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).