2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine

C17H29N3S — CID 105153637

IUPAC2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
SMILESCNC(Cc1ccn(C2CCCCC2)n1)C1(C)CCCS1
InChIInChI=1S/C17H29N3S/c1-17(10-6-12-21-17)16(18-2)13-14-9-11-20(19-14)15-7-4-3-5-8-15/h9,11,15-16,18H,3-8,10,12-13H2,1-2H3
InChIKeyVHZSSFNIWSNYJB-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.80
Rot. Bonds5

About 2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine

2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine (PubChem CID 105153637) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
PubChem CID105153637
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
SMILESCNC(Cc1ccn(C2CCCCC2)n1)C1(C)CCCS1
InChIInChI=1S/C17H29N3S/c1-17(10-6-12-21-17)16(18-2)13-14-9-11-20(19-14)15-7-4-3-5-8-15/h9,11,15-16,18H,3-8,10,12-13H2,1-2H3
InChIKeyVHZSSFNIWSNYJB-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105175075
[2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253582
[2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine
CID 105250982
3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516696
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105157056
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107189365
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777224
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346312
1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79954390
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine
CID 64799126
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine (CID 105153637) is 2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine is CNC(Cc1ccn(C2CCCCC2)n1)C1(C)CCCS1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
The InChIKey is VHZSSFNIWSNYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-17(10-6-12-21-17)16(18-2)13-14-9-11-20(19-14)15-7-4-3-5-8-15/h9,11,15-16,18H,3-8,10,12-13H2,1-2H3.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine has a molecular weight of 307.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine is sourced from PubChem (CID 105153637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).