N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

C12H18N4S — CID 43528121

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccsc1)C(CN)c1cnn(C)c1
InChIInChI=1S/C12H18N4S/c1-15(7-10-3-4-17-9-10)12(5-13)11-6-14-16(2)8-11/h3-4,6,8-9,12H,5,7,13H2,1-2H3
InChIKeySMXHXWOGOCDJKX-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.61
Rot. Bonds5

About N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 43528121) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID43528121
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccsc1)C(CN)c1cnn(C)c1
InChIInChI=1S/C12H18N4S/c1-15(7-10-3-4-17-9-10)12(5-13)11-6-14-16(2)8-11/h3-4,6,8-9,12H,5,7,13H2,1-2H3
InChIKeySMXHXWOGOCDJKX-UHFFFAOYSA-N
XLogP1.61
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 43528121) is N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is CN(Cc1ccsc1)C(CN)c1cnn(C)c1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is SMXHXWOGOCDJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-15(7-10-3-4-17-9-10)12(5-13)11-6-14-16(2)8-11/h3-4,6,8-9,12H,5,7,13H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 250.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43528121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).