N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine

C11H15N3S — CID 102841118

IUPACN-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccsc1C)c1ccnn1C
InChIInChI=1S/C11H15N3S/c1-8-9(5-7-15-8)11(12-2)10-4-6-13-14(10)3/h4-7,11-12H,1-3H3
InChIKeyXTPCXQXETTZWTM-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.10
Rot. Bonds3

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

N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine (PubChem CID 102841118) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine
PubChem CID102841118
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccsc1C)c1ccnn1C
InChIInChI=1S/C11H15N3S/c1-8-9(5-7-15-8)11(12-2)10-4-6-13-14(10)3/h4-7,11-12H,1-3H3
InChIKeyXTPCXQXETTZWTM-UHFFFAOYSA-N
XLogP2.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2-methylpyrazol-3-yl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843262
1-(2,4-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858423
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 102803721
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858560
1-(2-bromo-3-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 107984986
1-(2,5-dibromophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858881
N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102840364
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63961194
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962440
N-methyl-1-(2-methylthiophen-3-yl)-1-quinoxalin-5-ylmethanamine
CID 102841956
1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841821

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine (CID 102841118) is N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine is CNC(c1ccsc1C)c1ccnn1C.
What is the InChIKey of N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine?
The InChIKey is XTPCXQXETTZWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8-9(5-7-15-8)11(12-2)10-4-6-13-14(10)3/h4-7,11-12H,1-3H3.
What are the key properties of N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine?
N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine has a molecular weight of 221.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102841118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).