N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine

C19H24N4O2 — CID 155810425

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine
SMILESCCn1cc(CNc2cc3cc(OC)c(OC)cc3c(C)n2)c(C)n1
InChIInChI=1S/C19H24N4O2/c1-6-23-11-15(12(2)22-23)10-20-19-8-14-7-17(24-4)18(25-5)9-16(14)13(3)21-19/h7-9,11H,6,10H2,1-5H3,(H,20,21)
InChIKeyIBPYBXQGNMQHNJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.70
Rot. Bonds6

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine (PubChem CID 155810425) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine
PubChem CID155810425
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine
SMILESCCn1cc(CNc2cc3cc(OC)c(OC)cc3c(C)n2)c(C)n1
InChIInChI=1S/C19H24N4O2/c1-6-23-11-15(12(2)22-23)10-20-19-8-14-7-17(24-4)18(25-5)9-16(14)13(3)21-19/h7-9,11H,6,10H2,1-5H3,(H,20,21)
InChIKeyIBPYBXQGNMQHNJ-UHFFFAOYSA-N
XLogP3.70
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
CID 19619118
1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine
CID 19626376
3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 122566168
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline
CID 19614682
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126965460
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline
CID 19626104
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19288632
1-(2,4-dimethoxyphenyl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea
CID 19324954
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167187
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride
CID 126965497

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine (CID 155810425) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine is CCn1cc(CNc2cc3cc(OC)c(OC)cc3c(C)n2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine?
The InChIKey is IBPYBXQGNMQHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-6-23-11-15(12(2)22-23)10-20-19-8-14-7-17(24-4)18(25-5)9-16(14)13(3)21-19/h7-9,11H,6,10H2,1-5H3,(H,20,21).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine has a molecular weight of 340.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine is sourced from PubChem (CID 155810425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).