1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine

C13H24N4OS — CID 106444969

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
SMILESCCn1ncc(OC)c1C(NC)C1CSCCN1C
InChIInChI=1S/C13H24N4OS/c1-5-17-13(11(18-4)8-15-17)12(14-2)10-9-19-7-6-16(10)3/h8,10,12,14H,5-7,9H2,1-4H3
InChIKeyLKFPSGNXBHGTDN-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.22
Rot. Bonds5

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine

1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine (PubChem CID 106444969) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
PubChem CID106444969
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
SMILESCCn1ncc(OC)c1C(NC)C1CSCCN1C
InChIInChI=1S/C13H24N4OS/c1-5-17-13(11(18-4)8-15-17)12(14-2)10-9-19-7-6-16(10)3/h8,10,12,14H,5-7,9H2,1-4H3
InChIKeyLKFPSGNXBHGTDN-UHFFFAOYSA-N
XLogP1.22
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444711
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444831
1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047693
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660208
2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106444904
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444901
(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol
CID 105130248
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444824
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 114657785
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048056
N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444780

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine (CID 106444969) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine is CCn1ncc(OC)c1C(NC)C1CSCCN1C.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The InChIKey is LKFPSGNXBHGTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-5-17-13(11(18-4)8-15-17)12(14-2)10-9-19-7-6-16(10)3/h8,10,12,14H,5-7,9H2,1-4H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine has a molecular weight of 284.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine is sourced from PubChem (CID 106444969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).