(4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine

C11H19N3OS — CID 105186271

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine
SMILESCOc1cnn(C)c1C(N)C1(C)CCCS1
InChIInChI=1S/C11H19N3OS/c1-11(5-4-6-16-11)10(12)9-8(15-3)7-13-14(9)2/h7,10H,4-6,12H2,1-3H3
InChIKeyVIJVCZCIXCYQKU-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.71
Rot. Bonds3

About (4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine

(4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine (PubChem CID 105186271) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine
PubChem CID105186271
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine
SMILESCOc1cnn(C)c1C(N)C1(C)CCCS1
InChIInChI=1S/C11H19N3OS/c1-11(5-4-6-16-11)10(12)9-8(15-3)7-13-14(9)2/h7,10H,4-6,12H2,1-3H3
InChIKeyVIJVCZCIXCYQKU-UHFFFAOYSA-N
XLogP1.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114662048
(1-methoxy-4,4-dimethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114662029
(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine
CID 114650812
2-(1-methoxycyclobutyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 103559895
(5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine
CID 106465011
[(4,4-dimethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105231780
cyclopropyl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114646874
(4-methoxy-1-methylpyrazol-5-yl)-(1-methylcyclopentyl)methanol
CID 115836869
1-(4,4-difluorocyclohexyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105186369
2-(1-adamantyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 105047254
1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 103451587
(1-methoxycyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645508

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine (CID 105186271) is (4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine is COc1cnn(C)c1C(N)C1(C)CCCS1.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine?
The InChIKey is VIJVCZCIXCYQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(5-4-6-16-11)10(12)9-8(15-3)7-13-14(9)2/h7,10H,4-6,12H2,1-3H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine?
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine has a molecular weight of 241.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-(2-methylthiolan-2-yl)methanamine is sourced from PubChem (CID 105186271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).