N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine

C11H15N3S — CID 79778925

IUPACN-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cnn(C)c2)s1
InChIInChI=1S/C11H15N3S/c1-3-12-7-10-4-5-11(15-10)9-6-13-14(2)8-9/h4-6,8,12H,3,7H2,1-2H3
InChIKeyBWFMVWOHSLMSQY-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.26
Rot. Bonds4

About N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine

N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine (PubChem CID 79778925) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine
PubChem CID79778925
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cnn(C)c2)s1
InChIInChI=1S/C11H15N3S/c1-3-12-7-10-4-5-11(15-10)9-6-13-14(2)8-9/h4-6,8,12H,3,7H2,1-2H3
InChIKeyBWFMVWOHSLMSQY-UHFFFAOYSA-N
XLogP2.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine (CID 79778925) is N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(-c2cnn(C)c2)s1.
What is the InChIKey of N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is BWFMVWOHSLMSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-12-7-10-4-5-11(15-10)9-6-13-14(2)8-9/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine?
N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 79778925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).