methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate

C18H24N4O2 — CID 95728208

IUPACmethyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1CN(C)C[C@H]1Cc2ccccc2CN1C
InChIInChI=1S/C18H24N4O2/c1-21(10-15-9-19-20-17(15)18(23)24-3)12-16-8-13-6-4-5-7-14(13)11-22(16)2/h4-7,9,16H,8,10-12H2,1-3H3,(H,19,20)/t16-/m1/s1
InChIKeyMZGJYDYNYAODQZ-MRXNPFEDSA-N
MW328.42 g/mol
LogP1.68
Rot. Bonds5

About methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate

methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate (PubChem CID 95728208) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate
PubChem CID95728208
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Namemethyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1CN(C)C[C@H]1Cc2ccccc2CN1C
InChIInChI=1S/C18H24N4O2/c1-21(10-15-9-19-20-17(15)18(23)24-3)12-16-8-13-6-4-5-7-14(13)11-22(16)2/h4-7,9,16H,8,10-12H2,1-3H3,(H,19,20)/t16-/m1/s1
InChIKeyMZGJYDYNYAODQZ-MRXNPFEDSA-N
XLogP1.68
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine
CID 90146772
methyl N-[2-[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]-2-oxoethyl]carbamate
CID 96580861
2-[[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 134701216
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
CID 56884251
3-ethoxy-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide
CID 70756048
2-(5-methoxycarbonyl-1H-pyrazol-4-yl)acetic acid
CID 83876349
5-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 96580049
N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124853333
N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97146560
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91774727
N,N-dimethylmethanamine;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 91526196
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]propanamide
CID 96581467

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate (CID 95728208) is methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]ncc1CN(C)C[C@H]1Cc2ccccc2CN1C.
What is the InChIKey of methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate?
The InChIKey is MZGJYDYNYAODQZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21(10-15-9-19-20-17(15)18(23)24-3)12-16-8-13-6-4-5-7-14(13)11-22(16)2/h4-7,9,16H,8,10-12H2,1-3H3,(H,19,20)/t16-/m1/s1.
What are the key properties of methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate?
methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate has a molecular weight of 328.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 95728208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).