2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C14H26ClN5S — CID 106444904

IUPAC2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1c(Cl)cnn1CCN(C)C)C1CSCCN1C
InChIInChI=1S/C14H26ClN5S/c1-16-13(12-10-21-8-7-19(12)4)14-11(15)9-17-20(14)6-5-18(2)3/h9,12-13,16H,5-8,10H2,1-4H3
InChIKeyTWGFHBXBQYSROH-UHFFFAOYSA-N
MW331.92 g/mol
LogP1.41
Rot. Bonds6

About 2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 106444904) has the molecular formula C14H26ClN5S and a molecular weight of 331.92 g/mol. Its IUPAC name is 2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID106444904
Molecular FormulaC14H26ClN5S
Molecular Weight331.92 g/mol
Exact Mass331.16
IUPAC Name2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1c(Cl)cnn1CCN(C)C)C1CSCCN1C
InChIInChI=1S/C14H26ClN5S/c1-16-13(12-10-21-8-7-19(12)4)14-11(15)9-17-20(14)6-5-18(2)3/h9,12-13,16H,5-8,10H2,1-4H3
InChIKeyTWGFHBXBQYSROH-UHFFFAOYSA-N
XLogP1.41
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.92
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444901
2-[4-chloro-5-[methylamino-(2-methylcyclopropyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114655901
2-[5-[amino-(4-methylthiomorpholin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 106444624
2-[4-chloro-5-[1,4-dithian-2-yl(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658049
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444831
2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105038986
2-[4-chloro-5-[ethylamino(1,4-oxathian-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658118
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444711
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(thiolan-3-yl)methanol
CID 105127294
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444969
2-[4-chloro-5-[methylamino(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652491
2-[4-chloro-5-[methylamino-(1-methylcyclopentyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039148

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 106444904) is 2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CNC(c1c(Cl)cnn1CCN(C)C)C1CSCCN1C.
What is the InChIKey of 2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is TWGFHBXBQYSROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN5S/c1-16-13(12-10-21-8-7-19(12)4)14-11(15)9-17-20(14)6-5-18(2)3/h9,12-13,16H,5-8,10H2,1-4H3.
What are the key properties of 2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 331.92 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 106444904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).