N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C13H19N3S — CID 63248119

IUPACN-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NCc1ccsc1
InChIInChI=1S/C13H19N3S/c1-9(14-7-12-5-6-17-8-12)13-10(2)15-16(4)11(13)3/h5-6,8-9,14H,7H2,1-4H3
InChIKeySHDYRCCXWHGVRI-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.95
Rot. Bonds4

About N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 63248119) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID63248119
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NCc1ccsc1
InChIInChI=1S/C13H19N3S/c1-9(14-7-12-5-6-17-8-12)13-10(2)15-16(4)11(13)3/h5-6,8-9,14H,7H2,1-4H3
InChIKeySHDYRCCXWHGVRI-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-methyl-5-(thiophen-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]acetamide
CID 97519190
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22771349
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylethanamine
CID 53510023
N-[1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 91659555
(1R)-N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine
CID 94187195
(1S)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-thiophen-3-ylethanamine
CID 97230671
(2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine
CID 124848303
(1S)-N-[(3-chlorothiophen-2-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 124872802
N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]cyclopropanesulfonamide
CID 129528766
[(5-fluorothiophen-2-yl)methyl]({[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl})amine
CID 122165822
[(1-ethyl-5-fluoro-3-methyl-1H-pyrazol-4-yl)methyl][(5-fluorothiophen-2-yl)methyl]amine
CID 122165851
[(5-fluoro-1,3-dimethyl-1H-pyrazol-4-yl)methyl][(5-fluorothiophen-2-yl)methyl]amine
CID 122165852

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 63248119) is N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1C(C)NCc1ccsc1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is SHDYRCCXWHGVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(14-7-12-5-6-17-8-12)13-10(2)15-16(4)11(13)3/h5-6,8-9,14H,7H2,1-4H3.
What are the key properties of N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 249.38 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-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 63248119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).