5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline

C16H20ClN3O — CID 64800434

IUPAC5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H20ClN3O/c1-21-16-7-6-12(17)10-15(16)18-11-13-8-9-20(19-13)14-4-2-3-5-14/h6-10,14,18H,2-5,11H2,1H3
InChIKeyQXDCTWNEXYUAQE-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.27
Rot. Bonds5

About 5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline

5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline (PubChem CID 64800434) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline
PubChem CID64800434
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H20ClN3O/c1-21-16-7-6-12(17)10-15(16)18-11-13-8-9-20(19-13)14-4-2-3-5-14/h6-10,14,18H,2-5,11H2,1H3
InChIKeyQXDCTWNEXYUAQE-UHFFFAOYSA-N
XLogP4.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]aniline
CID 81280452
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-chloro-2-methoxyaniline
CID 64800625
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline
CID 64801006
5-bromo-N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-fluoro-2-methylaniline
CID 107592054
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 64801065
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline
CID 19626044
2-(5-chloro-2-methoxyanilino)-1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110654644
1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
CID 64975019
5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950941
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-iodoaniline
CID 64800257
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(hydroxymethyl)piperidine-1-carbothioamide
CID 972974

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline?
The IUPAC name of 5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline (CID 64800434) is 5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline is COc1ccc(Cl)cc1NCc1ccn(C2CCCC2)n1.
What is the InChIKey of 5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline?
The InChIKey is QXDCTWNEXYUAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-21-16-7-6-12(17)10-15(16)18-11-13-8-9-20(19-13)14-4-2-3-5-14/h6-10,14,18H,2-5,11H2,1H3.
What are the key properties of 5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline?
5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline has a molecular weight of 305.81 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 64800434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).