N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine

C19H30N4S — CID 77087518

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCN(Cc1cnn(CC)c1)Cc1ccc(CN2CCCCC2)s1
InChIInChI=1S/C19H30N4S/c1-3-21(13-17-12-20-23(4-2)14-17)15-18-8-9-19(24-18)16-22-10-6-5-7-11-22/h8-9,12,14H,3-7,10-11,13,15-16H2,1-2H3
InChIKeyWCAGZQNQYRVFNF-UHFFFAOYSA-N
MW346.54 g/mol
LogP3.97
Rot. Bonds8

About N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine

N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 77087518) has the molecular formula C19H30N4S and a molecular weight of 346.54 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID77087518
Molecular FormulaC19H30N4S
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCN(Cc1cnn(CC)c1)Cc1ccc(CN2CCCCC2)s1
InChIInChI=1S/C19H30N4S/c1-3-21(13-17-12-20-23(4-2)14-17)15-18-8-9-19(24-18)16-22-10-6-5-7-11-22/h8-9,12,14H,3-7,10-11,13,15-16H2,1-2H3
InChIKeyWCAGZQNQYRVFNF-UHFFFAOYSA-N
XLogP3.97
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine (CID 77087518) is N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine is CCN(Cc1cnn(CC)c1)Cc1ccc(CN2CCCCC2)s1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is WCAGZQNQYRVFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4S/c1-3-21(13-17-12-20-23(4-2)14-17)15-18-8-9-19(24-18)16-22-10-6-5-7-11-22/h8-9,12,14H,3-7,10-11,13,15-16H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 346.54 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 77087518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).