N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine

C13H19N3S — CID 105100657

IUPACN-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1cc(CC)nn1C
InChIInChI=1S/C13H19N3S/c1-4-10-9-11(16(3)15-10)13(14-5-2)12-7-6-8-17-12/h6-9,13-14H,4-5H2,1-3H3
InChIKeyRUZIBLQFCXVNPL-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.74
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine

N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 105100657) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine
PubChem CID105100657
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1cc(CC)nn1C
InChIInChI=1S/C13H19N3S/c1-4-10-9-11(16(3)15-10)13(14-5-2)12-7-6-8-17-12/h6-9,13-14H,4-5H2,1-3H3
InChIKeyRUZIBLQFCXVNPL-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105172877
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine
CID 105093037
N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105145666
N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65200220
N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105140865
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 102803050
N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105189478
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570
2-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105165203
[(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105308039
N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine
CID 105100347

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine (CID 105100657) is N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine is CCNC(c1cccs1)c1cc(CC)nn1C.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is RUZIBLQFCXVNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-4-10-9-11(16(3)15-10)13(14-5-2)12-7-6-8-17-12/h6-9,13-14H,4-5H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine?
N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 249.38 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-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 105100657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).