1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine

C14H19N3OS — CID 105047260

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccc(SC)cc1)c1c(OC)cnn1C
InChIInChI=1S/C14H19N3OS/c1-15-13(10-5-7-11(19-4)8-6-10)14-12(18-3)9-16-17(14)2/h5-9,13,15H,1-4H3
InChIKeyMSVDFXPTYRSMGD-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.46
Rot. Bonds5

About 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 105047260) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
PubChem CID105047260
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccc(SC)cc1)c1c(OC)cnn1C
InChIInChI=1S/C14H19N3OS/c1-15-13(10-5-7-11(19-4)8-6-10)14-12(18-3)9-16-17(14)2/h5-9,13,15H,1-4H3
InChIKeyMSVDFXPTYRSMGD-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol
CID 115836806
1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114648782
1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047226
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-quinoxalin-6-ylmethanamine
CID 114652591
1-(3-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114647006
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105186368
[(4-methoxy-1-propylpyrazol-5-yl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105339854
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105047124
1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046950
1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105052091

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine (CID 105047260) is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine is CNC(c1ccc(SC)cc1)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is MSVDFXPTYRSMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-15-13(10-5-7-11(19-4)8-6-10)14-12(18-3)9-16-17(14)2/h5-9,13,15H,1-4H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 277.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 105047260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).