N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine

C14H14N4 — CID 39756579

IUPACN-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
SMILESCn1cc(CNc2nccc3ccccc23)cn1
InChIInChI=1S/C14H14N4/c1-18-10-11(9-17-18)8-16-14-13-5-3-2-4-12(13)6-7-15-14/h2-7,9-10H,8H2,1H3,(H,15,16)
InChIKeyGBROUIAQOKKUGA-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.58
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine

N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine (PubChem CID 39756579) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
PubChem CID39756579
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
SMILESCn1cc(CNc2nccc3ccccc23)cn1
InChIInChI=1S/C14H14N4/c1-18-10-11(9-17-18)8-16-14-13-5-3-2-4-12(13)6-7-15-14/h2-7,9-10H,8H2,1H3,(H,15,16)
InChIKeyGBROUIAQOKKUGA-UHFFFAOYSA-N
XLogP2.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine (CID 39756579) is N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine is Cn1cc(CNc2nccc3ccccc23)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine?
The InChIKey is GBROUIAQOKKUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-18-10-11(9-17-18)8-16-14-13-5-3-2-4-12(13)6-7-15-14/h2-7,9-10H,8H2,1H3,(H,15,16).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine?
N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine has a molecular weight of 238.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 39756579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).