N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide

C16H20N4O — CID 134337246

IUPACN-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCNC(=O)C1c2ccccc2CCN1Cc1ccnn1C
InChIInChI=1S/C16H20N4O/c1-17-16(21)15-14-6-4-3-5-12(14)8-10-20(15)11-13-7-9-18-19(13)2/h3-7,9,15H,8,10-11H2,1-2H3,(H,17,21)
InChIKeyUVGMPVZOZPZPMQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.27
Rot. Bonds3

About N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide

N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide (PubChem CID 134337246) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
PubChem CID134337246
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCNC(=O)C1c2ccccc2CCN1Cc1ccnn1C
InChIInChI=1S/C16H20N4O/c1-17-16(21)15-14-6-4-3-5-12(14)8-10-20(15)11-13-7-9-18-19(13)2/h3-7,9,15H,8,10-11H2,1-2H3,(H,17,21)
InChIKeyUVGMPVZOZPZPMQ-UHFFFAOYSA-N
XLogP1.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 97311343
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79383563
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 103007449
2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 126831975
2-[(5-ethylfuran-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 65067182
2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 23333363
furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone
CID 162400386
2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173135351
methyl 2-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 120901350
2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 65067481
2-[(5-bromo-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 104800326
2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232418

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The IUPAC name of N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide (CID 134337246) is N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide.
What is the SMILES notation for N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The canonical SMILES for N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide is CNC(=O)C1c2ccccc2CCN1Cc1ccnn1C.
What is the InChIKey of N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The InChIKey is UVGMPVZOZPZPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-17-16(21)15-14-6-4-3-5-12(14)8-10-20(15)11-13-7-9-18-19(13)2/h3-7,9,15H,8,10-11H2,1-2H3,(H,17,21).
What are the key properties of N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide is sourced from PubChem (CID 134337246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).