2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide

C19H24N4O — CID 146140694

IUPAC2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
SMILESCn1ncc(CN2CCc3c(CC(N)=O)cccc3C2)c1C1CC1
InChIInChI=1S/C19H24N4O/c1-22-19(13-5-6-13)16(10-21-22)12-23-8-7-17-14(9-18(20)24)3-2-4-15(17)11-23/h2-4,10,13H,5-9,11-12H2,1H3,(H2,20,24)
InChIKeyQDASELWGZBSVNS-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.88
Rot. Bonds5

About 2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide

2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide (PubChem CID 146140694) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
PubChem CID146140694
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
SMILESCn1ncc(CN2CCc3c(CC(N)=O)cccc3C2)c1C1CC1
InChIInChI=1S/C19H24N4O/c1-22-19(13-5-6-13)16(10-21-22)12-23-8-7-17-14(9-18(20)24)3-2-4-15(17)11-23/h2-4,10,13H,5-9,11-12H2,1H3,(H2,20,24)
InChIKeyQDASELWGZBSVNS-UHFFFAOYSA-N
XLogP1.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The IUPAC name of 2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide (CID 146140694) is 2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide.
What is the SMILES notation for 2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The canonical SMILES for 2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide is Cn1ncc(CN2CCc3c(CC(N)=O)cccc3C2)c1C1CC1.
What is the InChIKey of 2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
The InChIKey is QDASELWGZBSVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22-19(13-5-6-13)16(10-21-22)12-23-8-7-17-14(9-18(20)24)3-2-4-15(17)11-23/h2-4,10,13H,5-9,11-12H2,1H3,(H2,20,24).
What are the key properties of 2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide?
2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide has a molecular weight of 324.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide is sourced from PubChem (CID 146140694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).