N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine

C16H23N3S — CID 64801637

IUPACN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine
SMILESc1cc(CCNCc2ccn(C3CCCCC3)n2)cs1
InChIInChI=1S/C16H23N3S/c1-2-4-16(5-3-1)19-10-7-15(18-19)12-17-9-6-14-8-11-20-13-14/h7-8,10-11,13,16-17H,1-6,9,12H2
InChIKeyDQEQXKCKSXVSGK-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.78
Rot. Bonds6

About N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine (PubChem CID 64801637) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine
PubChem CID64801637
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine
SMILESc1cc(CCNCc2ccn(C3CCCCC3)n2)cs1
InChIInChI=1S/C16H23N3S/c1-2-4-16(5-3-1)19-10-7-15(18-19)12-17-9-6-14-8-11-20-13-14/h7-8,10-11,13,16-17H,1-6,9,12H2
InChIKeyDQEQXKCKSXVSGK-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800659
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800466
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 64801659
1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one
CID 105104774
[1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105311732
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine
CID 64799703
[1-(1-cyclopentylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105314456
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105157011
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400354
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 64799852
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106416318

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine (CID 64801637) is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine is c1cc(CCNCc2ccn(C3CCCCC3)n2)cs1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine?
The InChIKey is DQEQXKCKSXVSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-2-4-16(5-3-1)19-10-7-15(18-19)12-17-9-6-14-8-11-20-13-14/h7-8,10-11,13,16-17H,1-6,9,12H2.
What are the key properties of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine?
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine has a molecular weight of 289.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 64801637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).