N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine

C14H21N3S — CID 80729412

IUPACN-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(Cn2nc(C)c(C)c2C)c(C)s1
InChIInChI=1S/C14H21N3S/c1-9-10(2)16-17(11(9)3)8-13-6-14(7-15-5)18-12(13)4/h6,15H,7-8H2,1-5H3
InChIKeyFSAKTGGYSLMPLC-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.95
Rot. Bonds4

About N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine

N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 80729412) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine
PubChem CID80729412
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(Cn2nc(C)c(C)c2C)c(C)s1
InChIInChI=1S/C14H21N3S/c1-9-10(2)16-17(11(9)3)8-13-6-14(7-15-5)18-12(13)4/h6,15H,7-8H2,1-5H3
InChIKeyFSAKTGGYSLMPLC-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine (CID 80729412) is N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine is CNCc1cc(Cn2nc(C)c(C)c2C)c(C)s1.
What is the InChIKey of N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is FSAKTGGYSLMPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-9-10(2)16-17(11(9)3)8-13-6-14(7-15-5)18-12(13)4/h6,15H,7-8H2,1-5H3.
What are the key properties of N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 263.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80729412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).