N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C14H21N3S — CID 78860782

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1ccsc1CNCCc1c(C)nn(C)c1C
InChIInChI=1S/C14H21N3S/c1-10-6-8-18-14(10)9-15-7-5-13-11(2)16-17(4)12(13)3/h6,8,15H,5,7,9H2,1-4H3
InChIKeyNFNRRXTYISHMBF-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.74
Rot. Bonds5

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

N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 78860782) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID78860782
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1ccsc1CNCCc1c(C)nn(C)c1C
InChIInChI=1S/C14H21N3S/c1-10-6-8-18-14(10)9-15-7-5-13-11(2)16-17(4)12(13)3/h6,8,15H,5,7,9H2,1-4H3
InChIKeyNFNRRXTYISHMBF-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-1-(2-thienylmethyl)-1H-pyrazol-5-amine
CID 3154161
1,3,5-trimethyl-N-(thien-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 3243813
US11026923, Example 65
CID 155773326
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 31646009
1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43435410
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43435419
1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
CID 45805410
1-(4-methylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 53617924
N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63248119
1-ethyl-N-[(5-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 72124368
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-[(thiophen-2-YL)methyl]butanamide
CID 45106804
1-Heptyl-5-phenyl-3-thiophen-2-ylpyrazole
CID 177651491

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 78860782) is N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1ccsc1CNCCc1c(C)nn(C)c1C.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is NFNRRXTYISHMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10-6-8-18-14(10)9-15-7-5-13-11(2)16-17(4)12(13)3/h6,8,15H,5,7,9H2,1-4H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 263.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 78860782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).