N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine

C15H21N3O3 — CID 43635857

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCNC(c1cnn(C)c1)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C15H21N3O3/c1-16-13(10-8-17-18(2)9-10)11-6-7-12(19-3)15(21-5)14(11)20-4/h6-9,13,16H,1-5H3
InChIKeyBUQHSXFKZZNEIG-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.75
Rot. Bonds6

About N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine

N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 43635857) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID43635857
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCNC(c1cnn(C)c1)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C15H21N3O3/c1-16-13(10-8-17-18(2)9-10)11-6-7-12(19-3)15(21-5)14(11)20-4/h6-9,13,16H,1-5H3
InChIKeyBUQHSXFKZZNEIG-UHFFFAOYSA-N
XLogP1.75
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 103523398
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65195113
1-(4-methoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485945
N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589047
N-methyl-1-(1-methylpyrazol-4-yl)-1-naphthalen-1-ylmethanamine
CID 43485969
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 114654399
1-(4-chloro-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 114028295
1-(2,3-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485943
1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809298
1-(2-ethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809291
N-[(2-methoxy-5-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65200292
[(4-methoxy-3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105258318

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine (CID 43635857) is N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine is CNC(c1cnn(C)c1)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is BUQHSXFKZZNEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-13(10-8-17-18(2)9-10)11-6-7-12(19-3)15(21-5)14(11)20-4/h6-9,13,16H,1-5H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine?
N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine has a molecular weight of 291.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 43635857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).