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

C17H23N3O — CID 64799720

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C17H23N3O/c1-2-21-17-9-5-6-14(12-17)18-13-15-10-11-20(19-15)16-7-3-4-8-16/h5-6,9-12,16,18H,2-4,7-8,13H2,1H3
InChIKeyZMJLIMXLIUXICS-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.01
Rot. Bonds6

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

N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline (PubChem CID 64799720) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline
PubChem CID64799720
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C17H23N3O/c1-2-21-17-9-5-6-14(12-17)18-13-15-10-11-20(19-15)16-7-3-4-8-16/h5-6,9-12,16,18H,2-4,7-8,13H2,1H3
InChIKeyZMJLIMXLIUXICS-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

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-iodoaniline
CID 64800257
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103773135
3-[(3-chlorophenoxy)methyl]-1-cyclohexylpyrazole
CID 64779344
4-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 65438089
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline
CID 64801006
N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline
CID 112582167
2,4,6-tribromo-N-[(1-cyclopentylpyrazol-3-yl)methyl]aniline
CID 64800838
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline
CID 79979514
N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133386099

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline (CID 64799720) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline is CCOc1cccc(NCc2ccn(C3CCCC3)n2)c1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline?
The InChIKey is ZMJLIMXLIUXICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-21-17-9-5-6-14(12-17)18-13-15-10-11-20(19-15)16-7-3-4-8-16/h5-6,9-12,16,18H,2-4,7-8,13H2,1H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-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]-3-ethoxyaniline is sourced from PubChem (CID 64799720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).