isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine

C16H18N4 — CID 105147400

IUPACisoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1cncc2ccccc12
InChIInChI=1S/C16H18N4/c1-10-15(11(2)20(3)19-10)16(17)14-9-18-8-12-6-4-5-7-13(12)14/h4-9,16H,17H2,1-3H3
InChIKeySRDPXUCVHYRRKG-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.63
Rot. Bonds2

About isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine

isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 105147400) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Nameisoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID105147400
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Nameisoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1cncc2ccccc12
InChIInChI=1S/C16H18N4/c1-10-15(11(2)20(3)19-10)16(17)14-9-18-8-12-6-4-5-7-13(12)14/h4-9,16H,17H2,1-3H3
InChIKeySRDPXUCVHYRRKG-UHFFFAOYSA-N
XLogP2.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105147431
(2-chlorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 115580073
quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105172503
[4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 102709995
(2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105155071
(2,5-dimethylfuran-3-yl)-isoquinolin-4-ylmethanamine
CID 115856253
isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine
CID 106755324
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
2-ethyl-1-isoquinolin-4-ylbutan-1-amine
CID 115856307
2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine
CID 104504037
(5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine
CID 115856186

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 105147400) is isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1nn(C)c(C)c1C(N)c1cncc2ccccc12.
What is the InChIKey of isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is SRDPXUCVHYRRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-15(11(2)20(3)19-10)16(17)14-9-18-8-12-6-4-5-7-13(12)14/h4-9,16H,17H2,1-3H3.
What are the key properties of isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105147400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).