N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine

C18H25N3O — CID 82527894

IUPACN-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
SMILESCCOc1ccc(-n2ncc(CNC3CCCC3)c2C)cc1
InChIInChI=1S/C18H25N3O/c1-3-22-18-10-8-17(9-11-18)21-14(2)15(13-20-21)12-19-16-6-4-5-7-16/h8-11,13,16,19H,3-7,12H2,1-2H3
InChIKeyWTKZVEHAJIXPPZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.61
Rot. Bonds6

About N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine

N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine (PubChem CID 82527894) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
PubChem CID82527894
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
SMILESCCOc1ccc(-n2ncc(CNC3CCCC3)c2C)cc1
InChIInChI=1S/C18H25N3O/c1-3-22-18-10-8-17(9-11-18)21-14(2)15(13-20-21)12-19-16-6-4-5-7-16/h8-11,13,16,19H,3-7,12H2,1-2H3
InChIKeyWTKZVEHAJIXPPZ-UHFFFAOYSA-N
XLogP3.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 82527899
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-1-amine
CID 82527897
N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82528297
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 54982355
2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 95457156
N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440578
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
[5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine
CID 107958644
4-(chloromethyl)-1-(4-ethoxyphenyl)-5-ethylpyrazole
CID 107958672
1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 107958317
1-(4-ethoxyphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82086071
N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440971

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine (CID 82527894) is N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine is CCOc1ccc(-n2ncc(CNC3CCCC3)c2C)cc1.
What is the InChIKey of N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine?
The InChIKey is WTKZVEHAJIXPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-3-22-18-10-8-17(9-11-18)21-14(2)15(13-20-21)12-19-16-6-4-5-7-16/h8-11,13,16,19H,3-7,12H2,1-2H3.
What are the key properties of N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine?
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine has a molecular weight of 299.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine is sourced from PubChem (CID 82527894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).