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

C15H19N5S — CID 77088431

IUPACN-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine
SMILESCN(CCc1cnn(C)c1)Cc1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C15H19N5S/c1-19(8-6-12-9-17-20(2)10-12)11-13-3-4-15(21-13)14-5-7-16-18-14/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,16,18)
InChIKeyFHAIYIPMTYEXQR-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.55
Rot. Bonds6

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

N-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine (PubChem CID 77088431) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine
PubChem CID77088431
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC NameN-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine
SMILESCN(CCc1cnn(C)c1)Cc1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C15H19N5S/c1-19(8-6-12-9-17-20(2)10-12)11-13-3-4-15(21-13)14-5-7-16-18-14/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,16,18)
InChIKeyFHAIYIPMTYEXQR-UHFFFAOYSA-N
XLogP2.55
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine with MolForge

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Related Compounds

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1-[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 25277257
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine (CID 77088431) is N-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine is CN(CCc1cnn(C)c1)Cc1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of N-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is FHAIYIPMTYEXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-19(8-6-12-9-17-20(2)10-12)11-13-3-4-15(21-13)14-5-7-16-18-14/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,16,18).
What are the key properties of N-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine?
N-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 301.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazol-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 77088431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).