1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid

C15H14N4O2 — CID 106766574

IUPAC1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid
SMILESCCn1cc(Nc2ncc(C(=O)O)c3ccccc23)cn1
InChIInChI=1S/C15H14N4O2/c1-2-19-9-10(7-17-19)18-14-12-6-4-3-5-11(12)13(8-16-14)15(20)21/h3-9H,2H2,1H3,(H,16,18)(H,20,21)
InChIKeyVRKUIRSCJHIILL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.89
Rot. Bonds4

About 1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid

1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid (PubChem CID 106766574) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid
PubChem CID106766574
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid
SMILESCCn1cc(Nc2ncc(C(=O)O)c3ccccc23)cn1
InChIInChI=1S/C15H14N4O2/c1-2-19-9-10(7-17-19)18-14-12-6-4-3-5-11(12)13(8-16-14)15(20)21/h3-9H,2H2,1H3,(H,16,18)(H,20,21)
InChIKeyVRKUIRSCJHIILL-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethylpyrazol-4-yl)amino]benzoic acid
CID 62231031
1-(hydroxyamino)isoquinoline-4-carboxylic acid
CID 106767395
1-[(1-methylpyrazol-4-yl)methylamino]isoquinoline-4-carboxylic acid
CID 106766904
6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438375
1-(2-bromoanilino)isoquinoline-4-carboxylic acid
CID 106766503
2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 155011100
N-(1-ethylpyrazol-4-yl)-3-fluoropyridin-2-amine
CID 62732475
1-[(1-ethylcyclobutyl)amino]isoquinoline-4-carboxylic acid
CID 106767560
1-(hex-1-yn-3-ylamino)isoquinoline-4-carboxylic acid
CID 106231022
2-[(1-ethylpyrazol-4-yl)amino]-4-[[(2S)-2-phenylpropyl]amino]pyrimidine-5-carboxamide
CID 165112333
1-(4-methylpentan-2-ylamino)isoquinoline-4-carboxylic acid
CID 106766559
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid (CID 106766574) is 1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid is CCn1cc(Nc2ncc(C(=O)O)c3ccccc23)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid?
The InChIKey is VRKUIRSCJHIILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-19-9-10(7-17-19)18-14-12-6-4-3-5-11(12)13(8-16-14)15(20)21/h3-9H,2H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid?
1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid is sourced from PubChem (CID 106766574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).