1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C13H19N3S — CID 19626641

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNC(C)c1cnn(C)c1C
InChIInChI=1S/C13H19N3S/c1-9-5-6-17-13(9)8-14-10(2)12-7-15-16(4)11(12)3/h5-7,10,14H,8H2,1-4H3
InChIKeyDBJPHPKYBOJTLM-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.95
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 19626641) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID19626641
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNC(C)c1cnn(C)c1C
InChIInChI=1S/C13H19N3S/c1-9-5-6-17-13(9)8-14-10(2)12-7-15-16(4)11(12)3/h5-7,10,14H,8H2,1-4H3
InChIKeyDBJPHPKYBOJTLM-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 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 19626641) is 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccsc1CNC(C)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is DBJPHPKYBOJTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9-5-6-17-13(9)8-14-10(2)12-7-15-16(4)11(12)3/h5-7,10,14H,8H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]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 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 19626641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).