N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine

C14H23N3S — CID 106428243

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H23N3S/c1-2-10-18-11-8-15-12-13-7-9-17(16-13)14-5-3-4-6-14/h2,7,9,14-15H,1,3-6,8,10-12H2
InChIKeySIUZNNVLVVZABQ-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.01
Rot. Bonds8

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine (PubChem CID 106428243) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine
PubChem CID106428243
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H23N3S/c1-2-10-18-11-8-15-12-13-7-9-17(16-13)14-5-3-4-6-14/h2,7,9,14-15H,1,3-6,8,10-12H2
InChIKeySIUZNNVLVVZABQ-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 114187719
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 64777182
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 64800285
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine
CID 64799703
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 64799852
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine
CID 64801637
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800466
3-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66004626

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine (CID 106428243) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine is C=CCSCCNCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine?
The InChIKey is SIUZNNVLVVZABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-10-18-11-8-15-12-13-7-9-17(16-13)14-5-3-4-6-14/h2,7,9,14-15H,1,3-6,8,10-12H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine has a molecular weight of 265.43 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine is sourced from PubChem (CID 106428243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).