1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol

C13H12N4O — CID 106537754

IUPAC1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCc3cn[nH]c3)c2c1
InChIInChI=1S/C13H12N4O/c18-11-2-1-10-3-4-14-13(12(10)5-11)15-6-9-7-16-17-8-9/h1-5,7-8,18H,6H2,(H,14,15)(H,16,17)
InChIKeyLTGLTDPCEZXRDQ-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.28
Rot. Bonds3

About 1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol

1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol (PubChem CID 106537754) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol
PubChem CID106537754
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCc3cn[nH]c3)c2c1
InChIInChI=1S/C13H12N4O/c18-11-2-1-10-3-4-14-13(12(10)5-11)15-6-9-7-16-17-8-9/h1-5,7-8,18H,6H2,(H,14,15)(H,16,17)
InChIKeyLTGLTDPCEZXRDQ-UHFFFAOYSA-N
XLogP2.28
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol
CID 106537672
3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
CID 106193468
3-N-(1H-pyrazol-4-ylmethyl)pyrazine-2,3-diamine
CID 102983865
1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol
CID 106537689
1-[2-(1H-1,2,4-triazol-5-yl)ethylamino]isoquinolin-7-ol
CID 106538776
1-[(3-bromothiophen-2-yl)methylamino]isoquinolin-7-ol
CID 106539130
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539932
4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 62958563
ethyl 2-[(7-hydroxyisoquinolin-1-yl)amino]acetate
CID 106537658
1-(2,2-dimethylhydrazinyl)isoquinolin-7-ol
CID 106539287
N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 61000619
2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 62784731

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol?
The IUPAC name of 1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol (CID 106537754) is 1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol.
What is the SMILES notation for 1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol?
The canonical SMILES for 1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol is Oc1ccc2ccnc(NCc3cn[nH]c3)c2c1.
What is the InChIKey of 1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol?
The InChIKey is LTGLTDPCEZXRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-11-2-1-10-3-4-14-13(12(10)5-11)15-6-9-7-16-17-8-9/h1-5,7-8,18H,6H2,(H,14,15)(H,16,17).
What are the key properties of 1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol?
1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol has a molecular weight of 240.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylmethylamino)isoquinolin-7-ol is sourced from PubChem (CID 106537754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).