5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline

C14H18ClN3O2 — CID 115761863

IUPAC5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline
SMILESCCn1nccc1CNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H18ClN3O2/c1-4-18-10(5-6-17-18)9-16-12-7-11(15)13(19-2)8-14(12)20-3/h5-8,16H,4,9H2,1-3H3
InChIKeyOEKWTMWXAMGRBW-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.19
Rot. Bonds6

About 5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline

5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline (PubChem CID 115761863) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline
PubChem CID115761863
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline
SMILESCCn1nccc1CNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H18ClN3O2/c1-4-18-10(5-6-17-18)9-16-12-7-11(15)13(19-2)8-14(12)20-3/h5-8,16H,4,9H2,1-3H3
InChIKeyOEKWTMWXAMGRBW-UHFFFAOYSA-N
XLogP3.19
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethoxyaniline
CID 115866170
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619277
5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline
CID 62344876
3-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylaniline
CID 115762690
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838297
2-ethoxy-N-[(2-ethylpyrazol-3-yl)methyl]-4-methylaniline
CID 115762789
5-bromo-2-methoxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555647
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
5-chloro-2,4-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600349
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline
CID 115762790
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methyl-4-nitroaniline
CID 114556103
N-[(2-ethylpyrazol-3-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 114555991

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline?
The IUPAC name of 5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline (CID 115761863) is 5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline.
What is the SMILES notation for 5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline?
The canonical SMILES for 5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline is CCn1nccc1CNc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of 5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline?
The InChIKey is OEKWTMWXAMGRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-4-18-10(5-6-17-18)9-16-12-7-11(15)13(19-2)8-14(12)20-3/h5-8,16H,4,9H2,1-3H3.
What are the key properties of 5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline?
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline has a molecular weight of 295.77 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,4-dimethoxyaniline is sourced from PubChem (CID 115761863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).