isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine

C16H18N4 — CID 63950472

IUPACisoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)c2nccc3ccccc23)cn1
InChIInChI=1S/C16H18N4/c1-2-9-20-11-13(10-19-20)15(17)16-14-6-4-3-5-12(14)7-8-18-16/h3-8,10-11,15H,2,9,17H2,1H3
InChIKeyUYMSUGUJIUCCQG-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.89
Rot. Bonds4

About isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine

isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine (PubChem CID 63950472) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Nameisoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine
PubChem CID63950472
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Nameisoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)c2nccc3ccccc23)cn1
InChIInChI=1S/C16H18N4/c1-2-9-20-11-13(10-19-20)15(17)16-14-6-4-3-5-12(14)7-8-18-16/h3-8,10-11,15H,2,9,17H2,1H3
InChIKeyUYMSUGUJIUCCQG-UHFFFAOYSA-N
XLogP2.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine
CID 113398477
isoquinolin-1-yl-(4-propylphenyl)methanamine
CID 63949863
(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine
CID 63988738
(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 104789813
(4-chlorophenyl)-isoquinolin-1-ylmethanamine
CID 63949053
(1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine
CID 103126377
(1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine
CID 114651952
4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105103926
(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115807748
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516
(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine
CID 115808100

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine (CID 63950472) is isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(N)c2nccc3ccccc23)cn1.
What is the InChIKey of isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is UYMSUGUJIUCCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-9-20-11-13(10-19-20)15(17)16-14-6-4-3-5-12(14)7-8-18-16/h3-8,10-11,15H,2,9,17H2,1H3.
What are the key properties of isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine?
isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 63950472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).