1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine

C14H19N3OS — CID 64625808

IUPAC1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
SMILESCCOc1ccc(C(N)CSc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3OS/c1-3-18-12-6-4-11(5-7-12)14(15)10-19-13-8-16-17(2)9-13/h4-9,14H,3,10,15H2,1-2H3
InChIKeySRDBPKDKKAXESB-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.61
Rot. Bonds6

About 1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine

1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine (PubChem CID 64625808) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
PubChem CID64625808
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
SMILESCCOc1ccc(C(N)CSc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3OS/c1-3-18-12-6-4-11(5-7-12)14(15)10-19-13-8-16-17(2)9-13/h4-9,14H,3,10,15H2,1-2H3
InChIKeySRDBPKDKKAXESB-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64627788
1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64628170
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250
1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 64626203
3-[2-amino-2-(4-ethoxyphenyl)ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 64632965
3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
CID 64900094
1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 104755777
4-[2-(bromomethyl)butylsulfanyl]-1-methylpyrazole
CID 65000653
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 104604703
1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927594
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine (CID 64625808) is 1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine is CCOc1ccc(C(N)CSc2cnn(C)c2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
The InChIKey is SRDBPKDKKAXESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-18-12-6-4-11(5-7-12)14(15)10-19-13-8-16-17(2)9-13/h4-9,14H,3,10,15H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine?
1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine is sourced from PubChem (CID 64625808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).