1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine

C13H19N3OS — CID 105047071

IUPAC1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2c(OC)cnn2C)s1
InChIInChI=1S/C13H19N3OS/c1-5-9-6-7-11(18-9)12(14-2)13-10(17-4)8-15-16(13)3/h6-8,12,14H,5H2,1-4H3
InChIKeyAIVFUBTWXYIPEI-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.36
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine

1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105047071) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105047071
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2c(OC)cnn2C)s1
InChIInChI=1S/C13H19N3OS/c1-5-9-6-7-11(18-9)12(14-2)13-10(17-4)8-15-16(13)3/h6-8,12,14H,5H2,1-4H3
InChIKeyAIVFUBTWXYIPEI-UHFFFAOYSA-N
XLogP2.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 105041323
1-(5-ethylthiophen-2-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127074
1-(4-ethylsulfanylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 106848978
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 114646478
1-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43480803
1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114648782
1-(2-methoxy-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047026
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105047260
(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine
CID 105054323
1-(4-chloro-2-methoxyphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046921
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105047124
1-(4-methoxy-1-methylpyrazol-5-yl)ethylhydrazine
CID 105201324

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine (CID 105047071) is 1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine is CCc1ccc(C(NC)c2c(OC)cnn2C)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is AIVFUBTWXYIPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-5-9-6-7-11(18-9)12(14-2)13-10(17-4)8-15-16(13)3/h6-8,12,14H,5H2,1-4H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine?
1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105047071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).