N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline

C17H23N3O — CID 19626044

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline
SMILESCCOc1ccc(NCc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C17H23N3O/c1-2-21-17-9-7-14(8-10-17)18-13-15-11-12-20(19-15)16-5-3-4-6-16/h7-12,16,18H,2-6,13H2,1H3
InChIKeyUTOOWANVVAPRNO-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.01
Rot. Bonds6

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline

N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline (PubChem CID 19626044) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline
PubChem CID19626044
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline
SMILESCCOc1ccc(NCc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C17H23N3O/c1-2-21-17-9-7-14(8-10-17)18-13-15-11-12-20(19-15)16-5-3-4-6-16/h7-12,16,18H,2-6,13H2,1H3
InChIKeyUTOOWANVVAPRNO-UHFFFAOYSA-N
XLogP4.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline
CID 64799720
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
CID 64975019
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103773135
1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 122168086
1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 64801364
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-iodoaniline
CID 64800257
4-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 65438089
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-[(1-cyclohexylpyrazol-3-yl)methylamino]-2-methylbutan-1-ol
CID 64800330
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline (CID 19626044) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline is CCOc1ccc(NCc2ccn(C3CCCC3)n2)cc1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline?
The InChIKey is UTOOWANVVAPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-21-17-9-7-14(8-10-17)18-13-15-11-12-20(19-15)16-5-3-4-6-16/h7-12,16,18H,2-6,13H2,1H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline has a molecular weight of 285.39 g/mol, XLogP of 4.01, 6 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]-4-ethoxyaniline is sourced from PubChem (CID 19626044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).