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

C11H15N3OS — CID 103135686

IUPAC1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCNC(c1ccn(C)n1)c1cc(OC)cs1
InChIInChI=1S/C11H15N3OS/c1-12-11(9-4-5-14(2)13-9)10-6-8(15-3)7-16-10/h4-7,11-12H,1-3H3
InChIKeyIKEMCMIVKOPAOY-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.80
Rot. Bonds4

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

1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 103135686) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID103135686
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCNC(c1ccn(C)n1)c1cc(OC)cs1
InChIInChI=1S/C11H15N3OS/c1-12-11(9-4-5-14(2)13-9)10-6-8(15-3)7-16-10/h4-7,11-12H,1-3H3
InChIKeyIKEMCMIVKOPAOY-UHFFFAOYSA-N
XLogP1.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81126484
1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122131
1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81126757
1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 83056844
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103433587
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 103135486
1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105010987
1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105007159
N-methyl-1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 79987622
1-(2-chloro-4,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 107476237
1-(2-bromo-4,5-dimethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81121817
1-(3-fluoro-5-methylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105016633

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (CID 103135686) is 1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is CNC(c1ccn(C)n1)c1cc(OC)cs1.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is IKEMCMIVKOPAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-12-11(9-4-5-14(2)13-9)10-6-8(15-3)7-16-10/h4-7,11-12H,1-3H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 237.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103135686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).