(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine

C11H19N3OS — CID 114658855

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)C1CCCS1
InChIInChI=1S/C11H19N3OS/c1-3-14-11(8(15-2)7-13-14)10(12)9-5-4-6-16-9/h7,9-10H,3-6,12H2,1-2H3
InChIKeyAJHAVRLYKYLSJJ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.81
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine

(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine (PubChem CID 114658855) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine
PubChem CID114658855
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)C1CCCS1
InChIInChI=1S/C11H19N3OS/c1-3-14-11(8(15-2)7-13-14)10(12)9-5-4-6-16-9/h7,9-10H,3-6,12H2,1-2H3
InChIKeyAJHAVRLYKYLSJJ-UHFFFAOYSA-N
XLogP1.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine
CID 105048076
7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837191
(1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 114655860
[2-cyclobutyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 103170830
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255449
(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol
CID 105130248
[2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105339349
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxypropan-1-amine
CID 114657669
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
CID 105047700
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656654
2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 115837192
(1-ethyl-4-methoxypyrazol-5-yl)-(4-propylmorpholin-2-yl)methanamine
CID 114657813

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine (CID 114658855) is (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine is CCn1ncc(OC)c1C(N)C1CCCS1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine?
The InChIKey is AJHAVRLYKYLSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-14-11(8(15-2)7-13-14)10(12)9-5-4-6-16-9/h7,9-10H,3-6,12H2,1-2H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine?
(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine has a molecular weight of 241.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine is sourced from PubChem (CID 114658855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).