1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine

C12H17N3S — CID 19626652

IUPAC1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCCn1nccc1C(C)NCc1ccsc1
InChIInChI=1S/C12H17N3S/c1-3-15-12(4-6-14-15)10(2)13-8-11-5-7-16-9-11/h4-7,9-10,13H,3,8H2,1-2H3
InChIKeyJDLRXQOINXAZJF-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.82
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine

1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 19626652) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID19626652
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCCn1nccc1C(C)NCc1ccsc1
InChIInChI=1S/C12H17N3S/c1-3-15-12(4-6-14-15)10(2)13-8-11-5-7-16-9-11/h4-7,9-10,13H,3,8H2,1-2H3
InChIKeyJDLRXQOINXAZJF-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 106757796
1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 105148244
1-(2-ethylpyrazol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625601
N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625166
N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625158
1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 63247743
1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627709
2-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606235
1-(5-methyl-1,3-oxazol-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103893542
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 71929315
N-(thiophen-3-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 63247881
1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 115709548

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine (CID 19626652) is 1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine is CCn1nccc1C(C)NCc1ccsc1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is JDLRXQOINXAZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-15-12(4-6-14-15)10(2)13-8-11-5-7-16-9-11/h4-7,9-10,13H,3,8H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 19626652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).