1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid

C15H14N4O2 — CID 106766904

IUPAC1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid
SMILESCn1cc(CNc2ncc(C(=O)O)c3ccccc23)cn1
InChIInChI=1S/C15H14N4O2/c1-19-9-10(7-18-19)6-16-14-12-5-3-2-4-11(12)13(8-17-14)15(20)21/h2-5,7-9H,6H2,1H3,(H,16,17)(H,20,21)
InChIKeyOQZQMEPRCHFQMZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.28
Rot. Bonds4

About 1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid

1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid (PubChem CID 106766904) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid
PubChem CID106766904
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid
SMILESCn1cc(CNc2ncc(C(=O)O)c3ccccc23)cn1
InChIInChI=1S/C15H14N4O2/c1-19-9-10(7-18-19)6-16-14-12-5-3-2-4-11(12)13(8-17-14)15(20)21/h2-5,7-9H,6H2,1H3,(H,16,17)(H,20,21)
InChIKeyOQZQMEPRCHFQMZ-UHFFFAOYSA-N
XLogP2.28
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 39756579
1-[(5-methyl-1,3-oxazol-2-yl)methylamino]isoquinoline-4-carboxylic acid
CID 106373085
1-(cyclopropylmethylamino)isoquinoline-4-carboxylic acid
CID 106766488
1-(1,3-thiazol-2-ylmethylamino)isoquinoline-4-carboxylic acid
CID 106766776
2-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 19624669
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]isoquinoline-4-carboxylic acid
CID 106766779
3-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-yloxybenzoic acid
CID 166237731
1-(hydroxyamino)isoquinoline-4-carboxylic acid
CID 106767395
1-[3-(dimethylamino)propylamino]isoquinoline-4-carboxylic acid
CID 106766513
1-[(1-ethylcyclobutyl)amino]isoquinoline-4-carboxylic acid
CID 106767560
1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid
CID 106766574
2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid
CID 82539391

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid (CID 106766904) is 1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid is Cn1cc(CNc2ncc(C(=O)O)c3ccccc23)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid?
The InChIKey is OQZQMEPRCHFQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-19-9-10(7-18-19)6-16-14-12-5-3-2-4-11(12)13(8-17-14)15(20)21/h2-5,7-9H,6H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid?
1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid is sourced from PubChem (CID 106766904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).