N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine

C16H23N3O — CID 64799703

IUPACN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine
SMILESc1coc(CCNCc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C16H23N3O/c1-2-5-15(6-3-1)19-11-9-14(18-19)13-17-10-8-16-7-4-12-20-16/h4,7,9,11-12,15,17H,1-3,5-6,8,10,13H2
InChIKeyQRILHBXDKFXZCS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.31
Rot. Bonds6

About N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine (PubChem CID 64799703) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine
PubChem CID64799703
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine
SMILESc1coc(CCNCc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C16H23N3O/c1-2-5-15(6-3-1)19-11-9-14(18-19)13-17-10-8-16-7-4-12-20-16/h4,7,9,11-12,15,17H,1-3,5-6,8,10,13H2
InChIKeyQRILHBXDKFXZCS-UHFFFAOYSA-N
XLogP3.31
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 110050496
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400354
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106401286
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
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800466
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine
CID 64801637
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 64801659
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 64800285
2-[(1-cyclopentylpyrazol-3-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 110050869
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine?
The IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine (CID 64799703) is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine is c1coc(CCNCc2ccn(C3CCCCC3)n2)c1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine?
The InChIKey is QRILHBXDKFXZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-5-15(6-3-1)19-11-9-14(18-19)13-17-10-8-16-7-4-12-20-16/h4,7,9,11-12,15,17H,1-3,5-6,8,10,13H2.
What are the key properties of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine?
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.31, 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-(furan-2-yl)ethanamine is sourced from PubChem (CID 64799703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).