2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine

C12H17N3S — CID 115702961

IUPAC2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1c(CCNCc2cccs2)cnn1C
InChIInChI=1S/C12H17N3S/c1-10-11(8-14-15(10)2)5-6-13-9-12-4-3-7-16-12/h3-4,7-8,13H,5-6,9H2,1-2H3
InChIKeyPRLJGPQGOFOMBN-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.12
Rot. Bonds5

About 2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine

2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 115702961) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID115702961
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1c(CCNCc2cccs2)cnn1C
InChIInChI=1S/C12H17N3S/c1-10-11(8-14-15(10)2)5-6-13-9-12-4-3-7-16-12/h3-4,7-8,13H,5-6,9H2,1-2H3
InChIKeyPRLJGPQGOFOMBN-UHFFFAOYSA-N
XLogP2.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.12
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

2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62538017
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutan-1-amine
CID 115887925
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526354
1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79578963
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 115576261
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 79596541
3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 114289826
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine (CID 115702961) is 2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine is Cc1c(CCNCc2cccs2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is PRLJGPQGOFOMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-10-11(8-14-15(10)2)5-6-13-9-12-4-3-7-16-12/h3-4,7-8,13H,5-6,9H2,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine?
2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 115702961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).