2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide

C16H21N5O — CID 125174227

IUPAC2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide
SMILESCN1Cc2ccccc2C[C@H]1CNC(=O)Cn1cc(N)cn1
InChIInChI=1S/C16H21N5O/c1-20-9-13-5-3-2-4-12(13)6-15(20)8-18-16(22)11-21-10-14(17)7-19-21/h2-5,7,10,15H,6,8-9,11,17H2,1H3,(H,18,22)/t15-/m0/s1
InChIKeyDTMALCTZMMZXFN-HNNXBMFYSA-N
MW299.38 g/mol
LogP0.64
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide

2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide (PubChem CID 125174227) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide
PubChem CID125174227
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide
SMILESCN1Cc2ccccc2C[C@H]1CNC(=O)Cn1cc(N)cn1
InChIInChI=1S/C16H21N5O/c1-20-9-13-5-3-2-4-12(13)6-15(20)8-18-16(22)11-21-10-14(17)7-19-21/h2-5,7,10,15H,6,8-9,11,17H2,1H3,(H,18,22)/t15-/m0/s1
InChIKeyDTMALCTZMMZXFN-HNNXBMFYSA-N
XLogP0.64
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide with MolForge

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 107843288
2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide
CID 91829015
5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide
CID 124756454
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 125170165
4-methyl-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methylamino]-3-oxopropyl]benzamide
CID 91832479
2-anilino-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]pyrimidine-5-carboxamide
CID 72849015
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
1-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 135214421
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide
CID 125172240
N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 70787493
2-(4-aminopyrazol-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 114514841
1-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 135214409

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide (CID 125174227) is 2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide is CN1Cc2ccccc2C[C@H]1CNC(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide?
The InChIKey is DTMALCTZMMZXFN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20-9-13-5-3-2-4-12(13)6-15(20)8-18-16(22)11-21-10-14(17)7-19-21/h2-5,7,10,15H,6,8-9,11,17H2,1H3,(H,18,22)/t15-/m0/s1.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide has a molecular weight of 299.38 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide is sourced from PubChem (CID 125174227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).