N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine

C14H14N4 — CID 112702946

IUPACN-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2cncc3ccccc23)cn1
InChIInChI=1S/C14H14N4/c1-18-10-13(9-17-18)16-8-12-7-15-6-11-4-2-3-5-14(11)12/h2-7,9-10,16H,8H2,1H3
InChIKeyWUBQVMRVGFVTQS-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.58
Rot. Bonds3

About N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine

N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine (PubChem CID 112702946) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine
PubChem CID112702946
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2cncc3ccccc23)cn1
InChIInChI=1S/C14H14N4/c1-18-10-13(9-17-18)16-8-12-7-15-6-11-4-2-3-5-14(11)12/h2-7,9-10,16H,8H2,1H3
InChIKeyWUBQVMRVGFVTQS-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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Related Compounds

4-(isoquinolin-4-ylmethylamino)benzonitrile
CID 115884762
1-ethyl-5-(isoquinolin-4-ylmethylamino)pyridin-2-one
CID 104503884
N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine
CID 104504006
6-ethoxy-N-(isoquinolin-4-ylmethyl)pyridin-3-amine
CID 115748980
3-iodo-N-(isoquinolin-4-ylmethyl)-4-methylaniline
CID 115748309
N-[(2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43535024
N-(isoquinolin-4-ylmethyl)-3-(methoxymethyl)aniline
CID 115748316
2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline
CID 104503929
4-[[(1-methylpyrazol-4-yl)amino]methyl]benzene-1,2,3-triol
CID 103953341
N-(isoquinolin-4-ylmethyl)-2-methoxyaniline
CID 115884033
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride
CID 126963966
N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine
CID 130949120

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine?
The IUPAC name of N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine (CID 112702946) is N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine.
What is the SMILES notation for N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine?
The canonical SMILES for N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine is Cn1cc(NCc2cncc3ccccc23)cn1.
What is the InChIKey of N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine?
The InChIKey is WUBQVMRVGFVTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-18-10-13(9-17-18)16-8-12-7-15-6-11-4-2-3-5-14(11)12/h2-7,9-10,16H,8H2,1H3.
What are the key properties of N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine?
N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-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-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 112702946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).