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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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).