N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide

C17H19N5O2 — CID 166183392

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C17H19N5O2/c1-21(2)9-10-22-8-7-15(20-22)19-17(24)14-11-12-5-3-4-6-13(12)16(23)18-14/h3-8,11H,9-10H2,1-2H3,(H,18,23)(H,19,20,24)
InChIKeyKEUOYUJGBZMVMB-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.54
Rot. Bonds5

About N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 166183392) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID166183392
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C17H19N5O2/c1-21(2)9-10-22-8-7-15(20-22)19-17(24)14-11-12-5-3-4-6-13(12)16(23)18-14/h3-8,11H,9-10H2,1-2H3,(H,18,23)(H,19,20,24)
InChIKeyKEUOYUJGBZMVMB-UHFFFAOYSA-N
XLogP1.54
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide (CID 166183392) is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide is CN(C)CCn1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)n1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is KEUOYUJGBZMVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21(2)9-10-22-8-7-15(20-22)19-17(24)14-11-12-5-3-4-6-13(12)16(23)18-14/h3-8,11H,9-10H2,1-2H3,(H,18,23)(H,19,20,24).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 166183392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).